N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one

C86H94F8N10O9 — CID 158173435

IUPACN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one
SMILESCC(=O)Cc1ccccc1.CCOc1ccc(-n2c(C(CCN)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNC(C)Cc3ccccc3)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C43H47F4N5O4.C34H37F4N5O4.C9H10O/c1-3-56-34-16-14-33(15-17-34)52-41(49-38-12-8-7-11-35(38)42(52)54)39(19-20-48-30(2)27-31-9-5-4-6-10-31)51(22-21-50-23-25-55-26-24-50)40(53)29-32-13-18-36(37(44)28-32)43(45,46)47;1-2-47-25-10-8-24(9-11-25)43-32(40-29-6-4-3-5-26(29)33(43)45)30(13-14-39)42(16-15-41-17-19-46-20-18-41)31(44)22-23-7-12-27(28(35)21-23)34(36,37)38;1-8(10)7-9-5-3-2-4-6-9/h4-18,28,30,39,48H,3,19-27,29H2,1-2H3;3-12,21,30H,2,13-20,22,39H2,1H3;2-6H,7H2,1H3
InChIKeyFXSOCKRACZPLIV-UHFFFAOYSA-N
MW1563.74 g/mol
LogP13.55
Rot. Bonds30

About N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one

N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one (PubChem CID 158173435) has the molecular formula C86H94F8N10O9 and a molecular weight of 1563.74 g/mol. Its IUPAC name is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one.

Molecular Properties

Compound NameN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one
PubChem CID158173435
Molecular FormulaC86H94F8N10O9
Molecular Weight1563.74 g/mol
Exact Mass1562.71
IUPAC NameN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one
SMILESCC(=O)Cc1ccccc1.CCOc1ccc(-n2c(C(CCN)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNC(C)Cc3ccccc3)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C43H47F4N5O4.C34H37F4N5O4.C9H10O/c1-3-56-34-16-14-33(15-17-34)52-41(49-38-12-8-7-11-35(38)42(52)54)39(19-20-48-30(2)27-31-9-5-4-6-10-31)51(22-21-50-23-25-55-26-24-50)40(53)29-32-13-18-36(37(44)28-32)43(45,46)47;1-2-47-25-10-8-24(9-11-25)43-32(40-29-6-4-3-5-26(29)33(43)45)30(13-14-39)42(16-15-41-17-19-46-20-18-41)31(44)22-23-7-12-27(28(35)21-23)34(36,37)38;1-8(10)7-9-5-3-2-4-6-9/h4-18,28,30,39,48H,3,19-27,29H2,1-2H3;3-12,21,30H,2,13-20,22,39H2,1H3;2-6H,7H2,1H3
InChIKeyFXSOCKRACZPLIV-UHFFFAOYSA-N
XLogP13.55
TPSA208.92 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.74
LogP ≤ 513.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one with MolForge

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Related Compounds

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11564017
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methanesulfonamido)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11498626
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 11629108
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
CID 11513392
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)acetamide;N-[3-(benzylsulfonylamino)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;(2S)-2,3-diamino-N-[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 159754900
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(methylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 11505692
N-[(1R)-3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 58601611
N-[3-amino-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thian-4-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;ethyl 2-[[[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]amino]methylamino]acetate
CID 159099957
(2S)-2,5-diamino-N-[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]pentanamide
CID 11693372
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[4-(1,1-difluoroethyl)-3-fluorophenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]acetamide
CID 162582367
N-[3-(dimethylamino)propyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 58601541
tert-butyl N-[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylcarbamate
CID 11527783

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one?
The IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one (CID 158173435) is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one.
What is the SMILES notation for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one?
The canonical SMILES for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one is CC(=O)Cc1ccccc1.CCOc1ccc(-n2c(C(CCN)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNC(C)Cc3ccccc3)N(CCN3CCOCC3)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]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one?
The InChIKey is FXSOCKRACZPLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47F4N5O4.C34H37F4N5O4.C9H10O/c1-3-56-34-16-14-33(15-17-34)52-41(49-38-12-8-7-11-35(38)42(52)54)39(19-20-48-30(2)27-31-9-5-4-6-10-31)51(22-21-50-23-25-55-26-24-50)40(53)29-32-13-18-36(37(44)28-32)43(45,46)47;1-2-47-25-10-8-24(9-11-25)43-32(40-29-6-4-3-5-26(29)33(43)45)30(13-14-39)42(16-15-41-17-19-46-20-18-41)31(44)22-23-7-12-27(28(35)21-23)34(36,37)38;1-8(10)7-9-5-3-2-4-6-9/h4-18,28,30,39,48H,3,19-27,29H2,1-2H3;3-12,21,30H,2,13-20,22,39H2,1H3;2-6H,7H2,1H3.
What are the key properties of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one?
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one has a molecular weight of 1563.74 g/mol, XLogP of 13.55, 30 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(1-phenylpropan-2-ylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-phenylpropan-2-one is sourced from PubChem (CID 158173435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).