N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

C26H24N4O2 — CID 55619404

IUPACN-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C26H24N4O2/c1-17(2)28-25(31)14-18-9-11-20(12-10-18)29-26(32)22-15-24(19-6-5-13-27-16-19)30-23-8-4-3-7-21(22)23/h3-13,15-17H,14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDTECMXWNWHWFPU-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.62
Rot. Bonds6

About N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 55619404) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID55619404
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C26H24N4O2/c1-17(2)28-25(31)14-18-9-11-20(12-10-18)29-26(32)22-15-24(19-6-5-13-27-16-19)30-23-8-4-3-7-21(22)23/h3-13,15-17H,14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDTECMXWNWHWFPU-UHFFFAOYSA-N
XLogP4.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
2-pyridin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoline-4-carboxamide
CID 46668985
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
1-(furan-2-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55610578
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 30294376
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55958082
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 55619404) is N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is DTECMXWNWHWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17(2)28-25(31)14-18-9-11-20(12-10-18)29-26(32)22-15-24(19-6-5-13-27-16-19)30-23-8-4-3-7-21(22)23/h3-13,15-17H,14H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55619404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).