3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide

C25H30N4O2 — CID 53052510

IUPAC3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
SMILESCCN(CC)c1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-28(4-2)25-27-22-16-19(23(30)26-20-12-8-9-13-20)14-15-21(22)24(31)29(25)17-18-10-6-5-7-11-18/h5-7,10-11,14-16,20H,3-4,8-9,12-13,17H2,1-2H3,(H,26,30)
InChIKeyYTRHLFNZSWROOL-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.96
Rot. Bonds7

About 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide

3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide (PubChem CID 53052510) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
PubChem CID53052510
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
SMILESCCN(CC)c1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H30N4O2/c1-3-28(4-2)25-27-22-16-19(23(30)26-20-12-8-9-13-20)14-15-21(22)24(31)29(25)17-18-10-6-5-7-11-18/h5-7,10-11,14-16,20H,3-4,8-9,12-13,17H2,1-2H3,(H,26,30)
InChIKeyYTRHLFNZSWROOL-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 53052465
2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide
CID 53052524
methyl 4-[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate
CID 46284165
3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
CID 92574896
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-cyclopentyl-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 46284504
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
N-cyclopropyl-4-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 4118053
N-cyclopentyl-4-[[2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 46351206
3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
CID 11177317
N-cyclopentyl-4-oxo-3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazoline-7-carboxamide
CID 46284253
N-cyclohexyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxo-3-pentylquinazoline-7-carboxamide
CID 22333625
N-cyclopentyl-4-[[2-[1-(2-ethylanilino)-1-oxobutan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 46370243

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide (CID 53052510) is 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide is CCN(CC)c1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide?
The InChIKey is YTRHLFNZSWROOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-28(4-2)25-27-22-16-19(23(30)26-20-12-8-9-13-20)14-15-21(22)24(31)29(25)17-18-10-6-5-7-11-18/h5-7,10-11,14-16,20H,3-4,8-9,12-13,17H2,1-2H3,(H,26,30).
What are the key properties of 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide?
3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 53052510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).