3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide

C22H17ClN4O3 — CID 45491897

IUPAC3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)cc1Cl
InChIInChI=1S/C22H17ClN4O3/c1-30-20-7-5-16(10-18(20)23)27-13-26-19-9-15(4-6-17(19)22(27)29)21(28)25-12-14-3-2-8-24-11-14/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyFIQCBSAJWGIRKV-UHFFFAOYSA-N
MW420.86 g/mol
LogP3.37
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide

3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide (PubChem CID 45491897) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
PubChem CID45491897
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)cc1Cl
InChIInChI=1S/C22H17ClN4O3/c1-30-20-7-5-16(10-18(20)23)27-13-26-19-9-15(4-6-17(19)22(27)29)21(28)25-12-14-3-2-8-24-11-14/h2-11,13H,12H2,1H3,(H,25,28)
InChIKeyFIQCBSAJWGIRKV-UHFFFAOYSA-N
XLogP3.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 39048130
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
CID 71429785
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
1-[3-(3-phenylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11259761
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46469585

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide (CID 45491897) is 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is FIQCBSAJWGIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-30-20-7-5-16(10-18(20)23)27-13-26-19-9-15(4-6-17(19)22(27)29)21(28)25-12-14-3-2-8-24-11-14/h2-11,13H,12H2,1H3,(H,25,28).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 45491897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).