3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide

C24H20ClN3O4 — CID 45491616

IUPAC3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-32-22-9-5-17(13-20(22)25)28-14-27-21-12-16(4-8-19(21)24(28)31)23(30)26-11-10-15-2-6-18(29)7-3-15/h2-9,12-14,29H,10-11H2,1H3,(H,26,30)
InChIKeyBJZQZDGOBZTASF-UHFFFAOYSA-N
MW449.89 g/mol
LogP3.73
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide

3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 45491616) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
PubChem CID45491616
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-32-22-9-5-17(13-20(22)25)28-14-27-21-12-16(4-8-19(21)24(28)31)23(30)26-11-10-15-2-6-18(29)7-3-15/h2-9,12-14,29H,10-11H2,1H3,(H,26,30)
InChIKeyBJZQZDGOBZTASF-UHFFFAOYSA-N
XLogP3.73
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277387
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
CID 39039907
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171909660

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide (CID 45491616) is 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NCCc4ccc(O)cc4)ccc3c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is BJZQZDGOBZTASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-32-22-9-5-17(13-20(22)25)28-14-27-21-12-16(4-8-19(21)24(28)31)23(30)26-11-10-15-2-6-18(29)7-3-15/h2-9,12-14,29H,10-11H2,1H3,(H,26,30).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide?
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 449.89 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 45491616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).