1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide

C22H21ClN4O4 — CID 45495121

IUPAC1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1Cl
InChIInChI=1S/C22H21ClN4O4/c1-31-19-5-3-15(11-17(19)23)27-12-25-18-10-14(2-4-16(18)22(27)30)21(29)26-8-6-13(7-9-26)20(24)28/h2-5,10-13H,6-9H2,1H3,(H2,24,28)
InChIKeyHJULPMYCVCJPPK-UHFFFAOYSA-N
MW440.89 g/mol
LogP2.39
Rot. Bonds4

About 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide

1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide (PubChem CID 45495121) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
PubChem CID45495121
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1Cl
InChIInChI=1S/C22H21ClN4O4/c1-31-19-5-3-15(11-17(19)23)27-12-25-18-10-14(2-4-16(18)22(27)30)21(29)26-8-6-13(7-9-26)20(24)28/h2-5,10-13H,6-9H2,1H3,(H2,24,28)
InChIKeyHJULPMYCVCJPPK-UHFFFAOYSA-N
XLogP2.39
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one
CID 39352426
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 126478584
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide (CID 45495121) is 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide is COc1ccc(-n2cnc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1Cl.
What is the InChIKey of 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide?
The InChIKey is HJULPMYCVCJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-31-19-5-3-15(11-17(19)23)27-12-25-18-10-14(2-4-16(18)22(27)30)21(29)26-8-6-13(7-9-26)20(24)28/h2-5,10-13H,6-9H2,1H3,(H2,24,28).
What are the key properties of 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide?
1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 45495121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).