4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

C21H21ClN4O2 — CID 50828191

IUPAC4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)c1
InChIInChI=1S/C21H21ClN4O2/c1-14-4-2-5-15(12-14)24-21(28)25-10-8-16(9-11-25)26-13-23-19-17(20(26)27)6-3-7-18(19)22/h2-7,12-13,16H,8-11H2,1H3,(H,24,28)
InChIKeyZRBKNAYPZOYNFD-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.23
Rot. Bonds2

About 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 50828191) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID50828191
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)c1
InChIInChI=1S/C21H21ClN4O2/c1-14-4-2-5-15(12-14)24-21(28)25-10-8-16(9-11-25)26-13-23-19-17(20(26)27)6-3-7-18(19)22/h2-7,12-13,16H,8-11H2,1H3,(H,24,28)
InChIKeyZRBKNAYPZOYNFD-UHFFFAOYSA-N
XLogP4.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 50828191) is 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)c1.
What is the InChIKey of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is ZRBKNAYPZOYNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-4-2-5-15(12-14)24-21(28)25-10-8-16(9-11-25)26-13-23-19-17(20(26)27)6-3-7-18(19)22/h2-7,12-13,16H,8-11H2,1H3,(H,24,28).
What are the key properties of 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-chloro-4-oxoquinazolin-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 50828191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).