N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide

C17H14ClN3O2 — CID 39335309

IUPACN-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
SMILESCn1c(C(=O)NCc2cccc(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/c1-21-15(20-14-8-3-2-7-13(14)17(21)23)16(22)19-10-11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyAHFCBHQVGPIECL-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.52
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide

N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide (PubChem CID 39335309) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
PubChem CID39335309
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
SMILESCn1c(C(=O)NCc2cccc(Cl)c2)nc2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O2/c1-21-15(20-14-8-3-2-7-13(14)17(21)23)16(22)19-10-11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyAHFCBHQVGPIECL-UHFFFAOYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide (CID 39335309) is N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide is Cn1c(C(=O)NCc2cccc(Cl)c2)nc2ccccc2c1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide?
The InChIKey is AHFCBHQVGPIECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-21-15(20-14-8-3-2-7-13(14)17(21)23)16(22)19-10-11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide?
N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 39335309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).