3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C17H18N4O2 — CID 135925375

IUPAC3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cnn2c1[nH]c(=O)c1ccccc12)N1CCCCCC1
InChIInChI=1S/C17H18N4O2/c22-16-12-7-3-4-8-14(12)21-15(19-16)13(11-18-21)17(23)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,22)
InChIKeyULULSQWDDCXXIR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds1

About 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135925375) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135925375
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1cnn2c1[nH]c(=O)c1ccccc12)N1CCCCCC1
InChIInChI=1S/C17H18N4O2/c22-16-12-7-3-4-8-14(12)21-15(19-16)13(11-18-21)17(23)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,22)
InChIKeyULULSQWDDCXXIR-UHFFFAOYSA-N
XLogP2.19
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-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

3-(1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135965959
3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
3-[3-(aminomethyl)piperidine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925381
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379
3-[(2S)-2-methylpiperazine-1-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one;hydrochloride
CID 137127774
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
N-[(5-oxo-4H-pyrazolo[1,5-a]quinazolin-3-yl)methyl]-3-piperidin-1-ylpropanamide
CID 135939638
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
3-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane-2-carbonyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135463124
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136990430

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135925375) is 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is O=C(c1cnn2c1[nH]c(=O)c1ccccc12)N1CCCCCC1.
What is the InChIKey of 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is ULULSQWDDCXXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16-12-7-3-4-8-14(12)21-15(19-16)13(11-18-21)17(23)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,19,22).
What are the key properties of 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 310.36 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135925375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).