4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide

C23H20N4O — CID 25163930

IUPAC4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide
SMILESCc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1C
InChIInChI=1S/C23H20N4O/c1-14-3-5-18(11-15(14)2)27-22-19-6-4-17(16-7-9-25-10-8-16)12-21(19)26-13-20(22)23(24)28/h3-13H,1-2H3,(H2,24,28)(H,26,27)
InChIKeyBIICXZWYHQOUEQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.76
Rot. Bonds4

About 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide

4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 25163930) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide
PubChem CID25163930
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide
SMILESCc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1C
InChIInChI=1S/C23H20N4O/c1-14-3-5-18(11-15(14)2)27-22-19-6-4-17(16-7-9-25-10-8-16)12-21(19)26-13-20(22)23(24)28/h3-13H,1-2H3,(H2,24,28)(H,26,27)
InChIKeyBIICXZWYHQOUEQ-UHFFFAOYSA-N
XLogP4.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide (CID 25163930) is 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide is Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is BIICXZWYHQOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-14-3-5-18(11-15(14)2)27-22-19-6-4-17(16-7-9-25-10-8-16)12-21(19)26-13-20(22)23(24)28/h3-13H,1-2H3,(H2,24,28)(H,26,27).
What are the key properties of 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide?
4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylanilino)-7-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 25163930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).