4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide

C26H24ClN3O — CID 126593680

IUPAC4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NC(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C26H24ClN3O/c1-15(2)29-26(31)23-14-20(19-7-5-6-8-21(19)27)25-17(4)24(16(3)13-22(25)30-23)18-9-11-28-12-10-18/h5-15H,1-4H3,(H,29,31)
InChIKeyIHKQDKXUPDBULA-UHFFFAOYSA-N
MW429.95 g/mol
LogP6.37
Rot. Bonds4

About 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide

4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126593680) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126593680
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC Name4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NC(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C26H24ClN3O/c1-15(2)29-26(31)23-14-20(19-7-5-6-8-21(19)27)25-17(4)24(16(3)13-22(25)30-23)18-9-11-28-12-10-18/h5-15H,1-4H3,(H,29,31)
InChIKeyIHKQDKXUPDBULA-UHFFFAOYSA-N
XLogP6.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126593680) is 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide is Cc1cc2nc(C(=O)NC(C)C)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is IHKQDKXUPDBULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-15(2)29-26(31)23-14-20(19-7-5-6-8-21(19)27)25-17(4)24(16(3)13-22(25)30-23)18-9-11-28-12-10-18/h5-15H,1-4H3,(H,29,31).
What are the key properties of 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5,7-dimethyl-N-propan-2-yl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126593680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).