N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide

C19H21N5O2 — CID 134697033

IUPACN-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide
SMILESCc1cnn(C2CCCC2)c1NC(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C19H21N5O2/c1-12-10-21-24(14-5-3-4-6-14)17(12)22-18(25)13-7-8-15-16(9-13)20-11-23(2)19(15)26/h7-11,14H,3-6H2,1-2H3,(H,22,25)
InChIKeyKHQSBHJCJWKLGD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.81
Rot. Bonds3

About N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide

N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide (PubChem CID 134697033) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide
PubChem CID134697033
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide
SMILESCc1cnn(C2CCCC2)c1NC(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C19H21N5O2/c1-12-10-21-24(14-5-3-4-6-14)17(12)22-18(25)13-7-8-15-16(9-13)20-11-23(2)19(15)26/h7-11,14H,3-6H2,1-2H3,(H,22,25)
InChIKeyKHQSBHJCJWKLGD-UHFFFAOYSA-N
XLogP2.81
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopentyl-4-methylpyrazol-5-yl)-4-(difluoromethoxy)benzamide
CID 134699182
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
N-[(3aS,4S,7aR)-2-methylsulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040923
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040739
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172674373
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
CID 165420133
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 134704612
7-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-3-methylquinazolin-4-one
CID 138382545
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
(5-cyclohexyl-2-pyridinyl)methyl N-(3-methyl-4-oxoquinazolin-7-yl)carbamate
CID 155590797

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide (CID 134697033) is N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide is Cc1cnn(C2CCCC2)c1NC(=O)c1ccc2c(=O)n(C)cnc2c1.
What is the InChIKey of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide?
The InChIKey is KHQSBHJCJWKLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-10-21-24(14-5-3-4-6-14)17(12)22-18(25)13-7-8-15-16(9-13)20-11-23(2)19(15)26/h7-11,14H,3-6H2,1-2H3,(H,22,25).
What are the key properties of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide?
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-methyl-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 134697033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).