N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C22H23N3O2 — CID 135417630

IUPACN-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCc1ccccc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C22H23N3O2/c1-15-8-2-5-11-17(15)22(27)25(16-9-3-4-10-16)14-20-23-19-13-7-6-12-18(19)21(26)24-20/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H,23,24,26)
InChIKeySRQKJMDTOZLTFR-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.82
Rot. Bonds4

About N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135417630) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135417630
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCc1ccccc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C22H23N3O2/c1-15-8-2-5-11-17(15)22(27)25(16-9-3-4-10-16)14-20-23-19-13-7-6-12-18(19)21(26)24-20/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H,23,24,26)
InChIKeySRQKJMDTOZLTFR-UHFFFAOYSA-N
XLogP3.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135417630) is N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is Cc1ccccc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is SRQKJMDTOZLTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-8-2-5-11-17(15)22(27)25(16-9-3-4-10-16)14-20-23-19-13-7-6-12-18(19)21(26)24-20/h2,5-8,11-13,16H,3-4,9-10,14H2,1H3,(H,23,24,26).
What are the key properties of N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135417630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).