1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide

C15H13ClN4O2 — CID 135354633

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide
SMILESCOc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O
InChIInChI=1S/C15H13ClN4O2/c1-22-15-12(14(17)21)8-20(19-15)7-9-2-3-13-10(4-9)5-11(16)6-18-13/h2-6,8H,7H2,1H3,(H2,17,21)
InChIKeyBFVUMGUVBUCSQL-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.24
Rot. Bonds4

About 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide (PubChem CID 135354633) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide
PubChem CID135354633
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide
SMILESCOc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O
InChIInChI=1S/C15H13ClN4O2/c1-22-15-12(14(17)21)8-20(19-15)7-9-2-3-13-10(4-9)5-11(16)6-18-13/h2-6,8H,7H2,1H3,(H2,17,21)
InChIKeyBFVUMGUVBUCSQL-UHFFFAOYSA-N
XLogP2.24
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide (CID 135354633) is 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide is COc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide?
The InChIKey is BFVUMGUVBUCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-22-15-12(14(17)21)8-20(19-15)7-9-2-3-13-10(4-9)5-11(16)6-18-13/h2-6,8H,7H2,1H3,(H2,17,21).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxamide is sourced from PubChem (CID 135354633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).