4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide

C16H17ClN4O3 — CID 23647227

IUPAC4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide
SMILESCNC(=O)CCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C16H17ClN4O3/c1-18-13(22)5-3-4-11-14-15(23)10-8-9(17)6-7-12(10)21(24)16(14)20(2)19-11/h6-8,24H,3-5H2,1-2H3,(H,18,22)
InChIKeyRYBVTPJMGWELEE-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.85
Rot. Bonds4

About 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide

4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide (PubChem CID 23647227) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide
PubChem CID23647227
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide
SMILESCNC(=O)CCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C16H17ClN4O3/c1-18-13(22)5-3-4-11-14-15(23)10-8-9(17)6-7-12(10)21(24)16(14)20(2)19-11/h6-8,24H,3-5H2,1-2H3,(H,18,22)
InChIKeyRYBVTPJMGWELEE-UHFFFAOYSA-N
XLogP1.85
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-B]quinolin-4-one
CID 6540289
6-chloro-9-hydroxy-1-methyl-3-(trifluoromethyl)-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 23647201
6-chloro-3-ethyl-9-hydroxy-1-methyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 23647216
3-butyl-6-chloro-9-hydroxy-1-methyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 23647218
N-(2-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyrazolo[3,4-b]quinolin-3-yl}ethyl)acetamide
CID 23647228
1-(3-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyrazolo[3,4-b]quinolin-3-yl}propyl)-3-ethylurea
CID 23647229
ethyl N-(2-{6-chloro-9-hydroxy-1-methyl-4-oxo-1H,4H,9H-pyrazolo[3,4-b]quinolin-3-yl}ethyl)carbamate
CID 23647230
2-(3-chlorophenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939590
2-(3-Chlorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983699
6,7-dichloro-9-hydroxy-1-methyl-3-(trifluoromethyl)-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 23647204
6-chloro-9-methoxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 23647210
6-chloro-9-ethoxy-1,3-dimethyl-1H,4H,9H-pyrazolo[3,4-b]quinolin-4-one
CID 23647211

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide?
The IUPAC name of 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide (CID 23647227) is 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide?
The canonical SMILES for 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide is CNC(=O)CCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide?
The InChIKey is RYBVTPJMGWELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-18-13(22)5-3-4-11-14-15(23)10-8-9(17)6-7-12(10)21(24)16(14)20(2)19-11/h6-8,24H,3-5H2,1-2H3,(H,18,22).
What are the key properties of 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide?
4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide has a molecular weight of 348.79 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)-N-methylbutanamide is sourced from PubChem (CID 23647227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).