5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one

C11H7Cl2N3O — CID 165354598

IUPAC5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1cc2nc3c(Cl)cc(Cl)cc3c(=O)n2[nH]1
InChIInChI=1S/C11H7Cl2N3O/c1-5-2-9-14-10-7(11(17)16(9)15-5)3-6(12)4-8(10)13/h2-4,15H,1H3
InChIKeyPRISPXAZPDNEKC-UHFFFAOYSA-N
MW268.10 g/mol
LogP2.79
Rot. Bonds

About 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one

5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 165354598) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID165354598
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC Name5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1cc2nc3c(Cl)cc(Cl)cc3c(=O)n2[nH]1
InChIInChI=1S/C11H7Cl2N3O/c1-5-2-9-14-10-7(11(17)16(9)15-5)3-6(12)4-8(10)13/h2-4,15H,1H3
InChIKeyPRISPXAZPDNEKC-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 131845918
11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 3613608
2,6,8-trichloro-3-propylquinazolin-4-one
CID 170900735
6,7-dichloro-2-methyl-1H-pyrazolo[1,5-a]benzimidazole
CID 20788432
11-methyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 146160690
(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 86345042
2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174436
2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 82269784
2,3,4,6,8-pentachloroquinoline
CID 97181861
2,4,6,8-tetrachloroquinazoline
CID 12703363
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 92945277

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 165354598) is 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one is Cc1cc2nc3c(Cl)cc(Cl)cc3c(=O)n2[nH]1.
What is the InChIKey of 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is PRISPXAZPDNEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c1-5-2-9-14-10-7(11(17)16(9)15-5)3-6(12)4-8(10)13/h2-4,15H,1H3.
What are the key properties of 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one?
5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 268.10 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 165354598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).