1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C17H20N4O2 — CID 167985401

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)NC1CC2CCC1C2
InChIInChI=1S/C17H20N4O2/c22-16-12-3-1-2-4-13(12)19-15(21-16)9-18-17(23)20-14-8-10-5-6-11(14)7-10/h1-4,10-11,14H,5-9H2,(H2,18,20,23)(H,19,21,22)
InChIKeyBZGOCFJQSDGWNI-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.91
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 167985401) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID167985401
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESO=C(NCc1nc2ccccc2c(=O)[nH]1)NC1CC2CCC1C2
InChIInChI=1S/C17H20N4O2/c22-16-12-3-1-2-4-13(12)19-15(21-16)9-18-17(23)20-14-8-10-5-6-11(14)7-10/h1-4,10-11,14H,5-9H2,(H2,18,20,23)(H,19,21,22)
InChIKeyBZGOCFJQSDGWNI-UHFFFAOYSA-N
XLogP1.91
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea 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

2-[(2-bicyclo[2.2.1]heptanylamino)methyl]-3H-quinazolin-4-one
CID 135996453
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136967913
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
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135886874
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
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-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 167985401) is 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is O=C(NCc1nc2ccccc2c(=O)[nH]1)NC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is BZGOCFJQSDGWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16-12-3-1-2-4-13(12)19-15(21-16)9-18-17(23)20-14-8-10-5-6-11(14)7-10/h1-4,10-11,14H,5-9H2,(H2,18,20,23)(H,19,21,22).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 312.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 167985401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).