8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

C15H14BrN3O2 — CID 136505497

IUPAC8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn([C@@H]4CCOC4)c3c2cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-8-4-13-10(5-12(8)16)14-11(15(20)18-13)6-17-19(14)9-2-3-21-7-9/h4-6,9H,2-3,7H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyOQLMPVOWJVLMRZ-SECBINFHSA-N
MW348.20 g/mol
LogP2.91
Rot. Bonds1

About 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136505497) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136505497
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCc1cc2[nH]c(=O)c3cnn([C@@H]4CCOC4)c3c2cc1Br
InChIInChI=1S/C15H14BrN3O2/c1-8-4-13-10(5-12(8)16)14-11(15(20)18-13)6-17-19(14)9-2-3-21-7-9/h4-6,9H,2-3,7H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyOQLMPVOWJVLMRZ-SECBINFHSA-N
XLogP2.91
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-1-cyclopentyl-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505471
8-bromo-1-(cyclobutylmethyl)-7-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505472
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619104
7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136597874
8-bromo-1-cyclobutyl-7-ethyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619019
7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid
CID 136987510
8-[(3S)-4-[2-(cyclopropylmethoxy)ethyl]-3-methylpiperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505633
8-(2,4-dimethylpiperazine-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505783
7-methyl-1-(oxan-4-yl)-8-(4-propylpiperazine-1-carbonyl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 169430023
8-[4-(2-ethoxyethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136618931
7-methyl-8-[4-[(2-methylpyrimidin-5-yl)methyl]piperazine-1-carbonyl]-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505912
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;hydrochloride
CID 162307711

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136505497) is 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is Cc1cc2[nH]c(=O)c3cnn([C@@H]4CCOC4)c3c2cc1Br.
What is the InChIKey of 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is OQLMPVOWJVLMRZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-8-4-13-10(5-12(8)16)14-11(15(20)18-13)6-17-19(14)9-2-3-21-7-9/h4-6,9H,2-3,7H2,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 348.20 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136505497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).