1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea

C30H25ClN4O4 — CID 164900895

IUPAC1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
SMILESCOc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C)cc4)c(Cl)c3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C30H25ClN4O4/c1-19-8-10-21(11-9-19)34-30(36)35-25-13-12-22(14-24(25)31)39-29-23-15-27(37-2)28(16-26(23)32-18-33-29)38-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H2,34,35,36)
InChIKeyYROAGPXAVMMERL-UHFFFAOYSA-N
MW541.01 g/mol
LogP7.62
Rot. Bonds8

About 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea

1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea (PubChem CID 164900895) has the molecular formula C30H25ClN4O4 and a molecular weight of 541.01 g/mol. Its IUPAC name is 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
PubChem CID164900895
Molecular FormulaC30H25ClN4O4
Molecular Weight541.01 g/mol
Exact Mass540.16
IUPAC Name1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
SMILESCOc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C)cc4)c(Cl)c3)ncnc2cc1OCc1ccccc1
InChIInChI=1S/C30H25ClN4O4/c1-19-8-10-21(11-9-19)34-30(36)35-25-13-12-22(14-24(25)31)39-29-23-15-27(37-2)28(16-26(23)32-18-33-29)38-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H2,34,35,36)
InChIKeyYROAGPXAVMMERL-UHFFFAOYSA-N
XLogP7.62
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.01
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-[2-chloro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 164900961
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 58738951
3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea
CID 22667077
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
1-[2-chloro-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 22667231
1-[2-chloro-4-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]phenyl]-3-phenylurea
CID 134152440
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea;1-[(3R)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]urea;1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-nitrophenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea;1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]urea
CID 160689604

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea (CID 164900895) is 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea is COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C)cc4)c(Cl)c3)ncnc2cc1OCc1ccccc1.
What is the InChIKey of 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea?
The InChIKey is YROAGPXAVMMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClN4O4/c1-19-8-10-21(11-9-19)34-30(36)35-25-13-12-22(14-24(25)31)39-29-23-15-27(37-2)28(16-26(23)32-18-33-29)38-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H2,34,35,36).
What are the key properties of 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea?
1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea has a molecular weight of 541.01 g/mol, XLogP of 7.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 164900895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).