N-cycloheptyl-2-methylquinazoline-4-carboxamide

C17H21N3O — CID 110702850

IUPACN-cycloheptyl-2-methylquinazoline-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-12-18-15-11-7-6-10-14(15)16(19-12)17(21)20-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyNLDYJRQRCXBMGO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds2

About N-cycloheptyl-2-methylquinazoline-4-carboxamide

N-cycloheptyl-2-methylquinazoline-4-carboxamide (PubChem CID 110702850) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-cycloheptyl-2-methylquinazoline-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methylquinazoline-4-carboxamide
PubChem CID110702850
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-cycloheptyl-2-methylquinazoline-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3O/c1-12-18-15-11-7-6-10-14(15)16(19-12)17(21)20-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyNLDYJRQRCXBMGO-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclohexylquinazoline-4-carboxamide
CID 24749596
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 171081015
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
N-cyclopentyl-2-oxo-1H-quinazoline-4-carboxamide
CID 110702489
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methylquinazoline-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-methylquinazoline-4-carboxamide (CID 110702850) is N-cycloheptyl-2-methylquinazoline-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methylquinazoline-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methylquinazoline-4-carboxamide is Cc1nc(C(=O)NC2CCCCCC2)c2ccccc2n1.
What is the InChIKey of N-cycloheptyl-2-methylquinazoline-4-carboxamide?
The InChIKey is NLDYJRQRCXBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-18-15-11-7-6-10-14(15)16(19-12)17(21)20-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of N-cycloheptyl-2-methylquinazoline-4-carboxamide?
N-cycloheptyl-2-methylquinazoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methylquinazoline-4-carboxamide is sourced from PubChem (CID 110702850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).