4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline

C19H21ClN4O — CID 171679503

IUPAC4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline
SMILESCOc1cc2nccc(Cl)c2cc1-c1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C19H21ClN4O/c1-23-7-4-14(5-8-23)24-12-13(11-22-24)15-9-16-17(20)3-6-21-18(16)10-19(15)25-2/h3,6,9-12,14H,4-5,7-8H2,1-2H3
InChIKeyMZYCNGZSZZIURK-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline

4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline (PubChem CID 171679503) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline
PubChem CID171679503
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline
SMILESCOc1cc2nccc(Cl)c2cc1-c1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C19H21ClN4O/c1-23-7-4-14(5-8-23)24-12-13(11-22-24)15-9-16-17(20)3-6-21-18(16)10-19(15)25-2/h3,6,9-12,14H,4-5,7-8H2,1-2H3
InChIKeyMZYCNGZSZZIURK-UHFFFAOYSA-N
XLogP4.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinazoline
CID 169231151
4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-8-(trifluoromethyl)quinoline
CID 171679495
4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
CID 170835984
2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
CID 170305651
3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine
CID 121241474
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridine
CID 158691041
4-chloro-7-methoxy-6-(methoxymethoxy)quinoline
CID 155125376
4-chloro-6-isocyano-7-methoxyquinoline
CID 59712237
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146424750
(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine
CID 174339032
5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
CID 171408846
(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
CID 22936428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline?
The IUPAC name of 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline (CID 171679503) is 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline?
The canonical SMILES for 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline is COc1cc2nccc(Cl)c2cc1-c1cnn(C2CCN(C)CC2)c1.
What is the InChIKey of 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline?
The InChIKey is MZYCNGZSZZIURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-23-7-4-14(5-8-23)24-12-13(11-22-24)15-9-16-17(20)3-6-21-18(16)10-19(15)25-2/h3,6,9-12,14H,4-5,7-8H2,1-2H3.
What are the key properties of 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline?
4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline has a molecular weight of 356.86 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline is sourced from PubChem (CID 171679503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).