N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone

C117H118ClN23O10 — CID 159018735

IUPACN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN=C(Cc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)O2.CC(=O)N1CCC2(CC1)COC(Cc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)=N2.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(CC4=NCC5(CCNCC5)O4)cc23)ccc1OCc1ccccn1
InChIInChI=1S/2C31H32N6O3.C28H27ClN6O2.C27H27N5O2/c1-20-14-24(6-9-28(20)40-25-7-4-21(2)32-17-25)35-30-26-15-23(5-8-27(26)33-19-34-30)16-29-36-31(18-39-29)10-12-37(13-11-31)22(3)38;1-20-14-24(6-9-28(20)39-25-7-4-21(2)32-17-25)36-30-26-15-23(5-8-27(26)34-19-35-30)16-29-33-18-31(40-29)10-12-37(13-11-31)22(3)38;29-23-15-20(5-7-25(23)36-16-21-3-1-2-10-31-21)35-27-22-13-19(4-6-24(22)33-18-34-27)14-26-32-17-28(37-26)8-11-30-12-9-28;1-17-11-20(7-10-24(17)34-21-8-5-18(2)28-14-21)31-26-22-12-19(6-9-23(22)29-16-30-26)13-25-32-27(3,4)15-33-25/h4-9,14-15,17,19H,10-13,16,18H2,1-3H3,(H,33,34,35);4-9,14-15,17,19H,10-13,16,18H2,1-3H3,(H,34,35,36);1-7,10,13,15,18,30H,8-9,11-12,14,16-17H2,(H,33,34,35);5-12,14,16H,13,15H2,1-4H3,(H,29,30,31)
InChIKeyJTKPNKOSCWLQFM-UHFFFAOYSA-N
MW2041.83 g/mol
LogP22.08
Rot. Bonds25

About N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone (PubChem CID 159018735) has the molecular formula C117H118ClN23O10 and a molecular weight of 2041.83 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone
PubChem CID159018735
Molecular FormulaC117H118ClN23O10
Molecular Weight2041.83 g/mol
Exact Mass2039.91
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN=C(Cc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)O2.CC(=O)N1CCC2(CC1)COC(Cc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)=N2.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(CC4=NCC5(CCNCC5)O4)cc23)ccc1OCc1ccccn1
InChIInChI=1S/2C31H32N6O3.C28H27ClN6O2.C27H27N5O2/c1-20-14-24(6-9-28(20)40-25-7-4-21(2)32-17-25)35-30-26-15-23(5-8-27(26)33-19-34-30)16-29-36-31(18-39-29)10-12-37(13-11-31)22(3)38;1-20-14-24(6-9-28(20)39-25-7-4-21(2)32-17-25)36-30-26-15-23(5-8-27(26)34-19-35-30)16-29-33-18-31(40-29)10-12-37(13-11-31)22(3)38;29-23-15-20(5-7-25(23)36-16-21-3-1-2-10-31-21)35-27-22-13-19(4-6-24(22)33-18-34-27)14-26-32-17-28(37-26)8-11-30-12-9-28;1-17-11-20(7-10-24(17)34-21-8-5-18(2)28-14-21)31-26-22-12-19(6-9-23(22)29-16-30-26)13-25-32-27(3,4)15-33-25/h4-9,14-15,17,19H,10-13,16,18H2,1-3H3,(H,33,34,35);4-9,14-15,17,19H,10-13,16,18H2,1-3H3,(H,34,35,36);1-7,10,13,15,18,30H,8-9,11-12,14,16-17H2,(H,33,34,35);5-12,14,16H,13,15H2,1-4H3,(H,29,30,31)
InChIKeyJTKPNKOSCWLQFM-UHFFFAOYSA-N
XLogP22.08
TPSA378.73 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.83
LogP ≤ 522.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone (CID 159018735) is N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone is CC(=O)N1CCC2(CC1)CN=C(Cc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)O2.CC(=O)N1CCC2(CC1)COC(Cc1ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c1)=N2.Cc1ccc(Oc2ccc(Nc3ncnc4ccc(CC5=NC(C)(C)CO5)cc34)cc2C)cn1.Clc1cc(Nc2ncnc3ccc(CC4=NCC5(CCNCC5)O4)cc23)ccc1OCc1ccccn1.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone?
The InChIKey is JTKPNKOSCWLQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H32N6O3.C28H27ClN6O2.C27H27N5O2/c1-20-14-24(6-9-28(20)40-25-7-4-21(2)32-17-25)35-30-26-15-23(5-8-27(26)33-19-34-30)16-29-36-31(18-39-29)10-12-37(13-11-31)22(3)38;1-20-14-24(6-9-28(20)39-25-7-4-21(2)32-17-25)36-30-26-15-23(5-8-27(26)34-19-35-30)16-29-33-18-31(40-29)10-12-37(13-11-31)22(3)38;29-23-15-20(5-7-25(23)36-16-21-3-1-2-10-31-21)35-27-22-13-19(4-6-24(22)33-18-34-27)14-26-32-17-28(37-26)8-11-30-12-9-28;1-17-11-20(7-10-24(17)34-21-8-5-18(2)28-14-21)31-26-22-12-19(6-9-23(22)29-16-30-26)13-25-32-27(3,4)15-33-25/h4-9,14-15,17,19H,10-13,16,18H2,1-3H3,(H,33,34,35);4-9,14-15,17,19H,10-13,16,18H2,1-3H3,(H,34,35,36);1-7,10,13,15,18,30H,8-9,11-12,14,16-17H2,(H,33,34,35);5-12,14,16H,13,15H2,1-4H3,(H,29,30,31).
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone?
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone has a molecular weight of 2041.83 g/mol, XLogP of 22.08, 25 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-6-(1-oxa-3,8-diazaspiro[4.5]dec-2-en-2-ylmethyl)quinazolin-4-amine;6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone;1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]methyl]-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl]ethanone is sourced from PubChem (CID 159018735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).