N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

C117H112F11N17O14 — CID 158884656

IUPACN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(C(CCN)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](CCNC(=O)Nc3ccc(OC)cc3)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](CCNC(=O)Nc3ccccc3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C42H44F4N6O6.C41H36F4N6O4.C34H32F3N5O4/c1-3-58-32-15-11-30(12-16-32)52-39(49-36-7-5-4-6-33(36)40(52)54)37(18-19-47-41(55)48-29-9-13-31(56-2)14-10-29)51(21-20-50-22-24-57-25-23-50)38(53)27-28-8-17-34(35(43)26-28)42(44,45)46;1-2-55-31-17-15-30(16-18-31)51-38(49-35-13-7-6-12-32(35)39(51)53)36(20-22-47-40(54)48-29-10-4-3-5-11-29)50(26-28-9-8-21-46-25-28)37(52)24-27-14-19-33(34(42)23-27)41(43,44)45;1-2-45-26-15-11-25(12-16-26)42-32(40-29-8-4-3-7-28(29)33(42)44)30(17-18-38)41(22-24-6-5-19-39-21-24)31(43)20-23-9-13-27(14-10-23)46-34(35,36)37/h4-17,26,37H,3,18-25,27H2,1-2H3,(H2,47,48,55);3-19,21,23,25,36H,2,20,22,24,26H2,1H3,(H2,47,48,54);3-16,19,21,30H,2,17-18,20,22,38H2,1H3/t37-;36-;/m11./s1
InChIKeyJDLVRMYFCRLNNJ-PJYVLHICSA-N
MW2189.27 g/mol
LogP20.21
Rot. Bonds40

About N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide

N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 158884656) has the molecular formula C117H112F11N17O14 and a molecular weight of 2189.27 g/mol. Its IUPAC name is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID158884656
Molecular FormulaC117H112F11N17O14
Molecular Weight2189.27 g/mol
Exact Mass2187.84
IUPAC NameN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(C(CCN)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](CCNC(=O)Nc3ccc(OC)cc3)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](CCNC(=O)Nc3ccccc3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C42H44F4N6O6.C41H36F4N6O4.C34H32F3N5O4/c1-3-58-32-15-11-30(12-16-32)52-39(49-36-7-5-4-6-33(36)40(52)54)37(18-19-47-41(55)48-29-9-13-31(56-2)14-10-29)51(21-20-50-22-24-57-25-23-50)38(53)27-28-8-17-34(35(43)26-28)42(44,45)46;1-2-55-31-17-15-30(16-18-31)51-38(49-35-13-7-6-12-32(35)39(51)53)36(20-22-47-40(54)48-29-10-4-3-5-11-29)50(26-28-9-8-21-46-25-28)37(52)24-27-14-19-33(34(42)23-27)41(43,44)45;1-2-45-26-15-11-25(12-16-26)42-32(40-29-8-4-3-7-28(29)33(42)44)30(17-18-38)41(22-24-6-5-19-39-21-24)31(43)20-23-9-13-27(14-10-23)46-34(35,36)37/h4-17,26,37H,3,18-25,27H2,1-2H3,(H2,47,48,55);3-19,21,23,25,36H,2,20,22,24,26H2,1H3,(H2,47,48,54);3-16,19,21,30H,2,17-18,20,22,38H2,1H3/t37-;36-;/m11./s1
InChIKeyJDLVRMYFCRLNNJ-PJYVLHICSA-N
XLogP20.21
TPSA358.28 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.27
LogP ≤ 520.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

Amg-487
CID 24957182
Unii-FN2hyi3FM5
CID 9938965
Nbi-74330
CID 45784923
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(1-isopropylpiperidin-4-yl)acetamide
CID 46883308
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 44455870
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethyl)phenyl)acetamide
CID 9938326
rac-NBI-74330
CID 10167713
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl)ethyl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 46883300
US20230339891, Example 93
CID 169490150
(R)-N-(1-(3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethyl)phenyl)acetamide
CID 44426711
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide
CID 44426723
(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[3,4-d]pyrimidin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide
CID 44426724

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide (CID 158884656) is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(-n2c(C(CCN)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](CCNC(=O)Nc3ccc(OC)cc3)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c([C@@H](CCNC(=O)Nc3ccccc3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JDLVRMYFCRLNNJ-PJYVLHICSA-N. The full InChI is InChI=1S/C42H44F4N6O6.C41H36F4N6O4.C34H32F3N5O4/c1-3-58-32-15-11-30(12-16-32)52-39(49-36-7-5-4-6-33(36)40(52)54)37(18-19-47-41(55)48-29-9-13-31(56-2)14-10-29)51(21-20-50-22-24-57-25-23-50)38(53)27-28-8-17-34(35(43)26-28)42(44,45)46;1-2-55-31-17-15-30(16-18-31)51-38(49-35-13-7-6-12-32(35)39(51)53)36(20-22-47-40(54)48-29-10-4-3-5-11-29)50(26-28-9-8-21-46-25-28)37(52)24-27-14-19-33(34(42)23-27)41(43,44)45;1-2-45-26-15-11-25(12-16-26)42-32(40-29-8-4-3-7-28(29)33(42)44)30(17-18-38)41(22-24-6-5-19-39-21-24)31(43)20-23-9-13-27(14-10-23)46-34(35,36)37/h4-17,26,37H,3,18-25,27H2,1-2H3,(H2,47,48,55);3-19,21,23,25,36H,2,20,22,24,26H2,1H3,(H2,47,48,54);3-16,19,21,30H,2,17-18,20,22,38H2,1H3/t37-;36-;/m11./s1.
What are the key properties of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 2189.27 g/mol, XLogP of 20.21, 40 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 158884656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).