2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one

C16H19N3O — CID 135996453

IUPAC2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNC2CC3CCC2C3)nc2ccccc12
InChIInChI=1S/C16H19N3O/c20-16-12-3-1-2-4-13(12)18-15(19-16)9-17-14-8-10-5-6-11(14)7-10/h1-4,10-11,14,17H,5-9H2,(H,18,19,20)
InChIKeyKSUPPIPIRIDKNL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.20
Rot. Bonds3

About 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one

2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one (PubChem CID 135996453) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one
PubChem CID135996453
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CNC2CC3CCC2C3)nc2ccccc12
InChIInChI=1S/C16H19N3O/c20-16-12-3-1-2-4-13(12)18-15(19-16)9-17-14-8-10-5-6-11(14)7-10/h1-4,10-11,14,17H,5-9H2,(H,18,19,20)
InChIKeyKSUPPIPIRIDKNL-UHFFFAOYSA-N
XLogP2.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one 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

1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 167985401
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135830066
N-benzyl-2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135687480
2-[(thian-3-ylamino)methyl]-3H-quinazolin-4-one
CID 136991880
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136967913
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136755739
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136755738
N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 61309719
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135886874
2-[[(3-methylcyclohexyl)methylamino]methyl]-3H-quinazolin-4-one
CID 136786638
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-1-sulfonamide
CID 154764510

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one (CID 135996453) is 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one is O=c1[nH]c(CNC2CC3CCC2C3)nc2ccccc12.
What is the InChIKey of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one?
The InChIKey is KSUPPIPIRIDKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-12-3-1-2-4-13(12)18-15(19-16)9-17-14-8-10-5-6-11(14)7-10/h1-4,10-11,14,17H,5-9H2,(H,18,19,20).
What are the key properties of 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one?
2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one has a molecular weight of 269.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135996453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).