7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

C24H24ClN5O — CID 17376755

IUPAC7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C24H24ClN5O/c1-14-20(25)10-9-17-18(12-22(27-23(14)17)21-8-6-7-11-26-21)24(31)29(4)13-19-15(2)28-30(5)16(19)3/h6-12H,13H2,1-5H3
InChIKeyCCLMHCLYZSBSRL-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.88
Rot. Bonds4

About 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide

7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (PubChem CID 17376755) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
PubChem CID17376755
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C24H24ClN5O/c1-14-20(25)10-9-17-18(12-22(27-23(14)17)21-8-6-7-11-26-21)24(31)29(4)13-19-15(2)28-30(5)16(19)3/h6-12H,13H2,1-5H3
InChIKeyCCLMHCLYZSBSRL-UHFFFAOYSA-N
XLogP4.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide (CID 17376755) is 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
The InChIKey is CCLMHCLYZSBSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-14-20(25)10-9-17-18(12-22(27-23(14)17)21-8-6-7-11-26-21)24(31)29(4)13-19-15(2)28-30(5)16(19)3/h6-12H,13H2,1-5H3.
What are the key properties of 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide?
7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,8-dimethyl-2-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 17376755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).