N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide

C23H22N4O2 — CID 162656638

IUPACN-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccncc4)c3)cc21
InChIInChI=1S/C23H22N4O2/c1-24-23(29)27-13-3-6-17-7-8-20(15-21(17)27)26-22(28)19-5-2-4-18(14-19)16-9-11-25-12-10-16/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,24,29)(H,26,28)
InChIKeyFKQOEFTVOPIHMO-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.09
Rot. Bonds3

About N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide

N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 162656638) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID162656638
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccncc4)c3)cc21
InChIInChI=1S/C23H22N4O2/c1-24-23(29)27-13-3-6-17-7-8-20(15-21(17)27)26-22(28)19-5-2-4-18(14-19)16-9-11-25-12-10-16/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,24,29)(H,26,28)
InChIKeyFKQOEFTVOPIHMO-UHFFFAOYSA-N
XLogP4.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 162656638) is N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide is CNC(=O)N1CCCc2ccc(NC(=O)c3cccc(-c4ccncc4)c3)cc21.
What is the InChIKey of N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is FKQOEFTVOPIHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-24-23(29)27-13-3-6-17-7-8-20(15-21(17)27)26-22(28)19-5-2-4-18(14-19)16-9-11-25-12-10-16/h2,4-5,7-12,14-15H,3,6,13H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(3-pyridin-4-ylbenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 162656638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).