N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide

C15H13ClN4O — CID 166321071

IUPACN-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H13ClN4O/c1-9-8-20(2)19-13(9)15(21)18-12-7-11(16)6-10-4-3-5-17-14(10)12/h3-8H,1-2H3,(H,18,21)
InChIKeyUEVHHXXXVZJWDI-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.18
Rot. Bonds2

About N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide

N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 166321071) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID166321071
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H13ClN4O/c1-9-8-20(2)19-13(9)15(21)18-12-7-11(16)6-10-4-3-5-17-14(10)12/h3-8H,1-2H3,(H,18,21)
InChIKeyUEVHHXXXVZJWDI-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(6-chloroquinolin-8-yl)furan-2-carboxamide
CID 60729929
3-amino-N-(6-chloroquinolin-8-yl)benzamide
CID 43698580
4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
CID 65355080
N-(2-bromophenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110862780
1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110858040
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24673464
N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 25334693

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide (CID 166321071) is N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide is Cc1cn(C)nc1C(=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is UEVHHXXXVZJWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-8-20(2)19-13(9)15(21)18-12-7-11(16)6-10-4-3-5-17-14(10)12/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide?
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 166321071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).