N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide

C25H19N3O2 — CID 174510300

IUPACN-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2nc(N3C(=O)Cc4ccccc43)ccc12
InChIInChI=1S/C25H19N3O2/c29-24-15-18-9-4-5-12-22(18)28(24)23-14-13-19-20(10-6-11-21(19)27-23)25(30)26-16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,26,30)
InChIKeyHUVDPXILHGJABT-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.39
Rot. Bonds4

About N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide

N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide (PubChem CID 174510300) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide
PubChem CID174510300
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC NameN-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2nc(N3C(=O)Cc4ccccc43)ccc12
InChIInChI=1S/C25H19N3O2/c29-24-15-18-9-4-5-12-22(18)28(24)23-14-13-19-20(10-6-11-21(19)27-23)25(30)26-16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,26,30)
InChIKeyHUVDPXILHGJABT-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
CID 156633574
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-2-methyl-1,3-benzoxazole-7-carboxamide
CID 714012
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-benzyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132412

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide?
The IUPAC name of N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide (CID 174510300) is N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide is O=C(NCc1ccccc1)c1cccc2nc(N3C(=O)Cc4ccccc43)ccc12.
What is the InChIKey of N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide?
The InChIKey is HUVDPXILHGJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-24-15-18-9-4-5-12-22(18)28(24)23-14-13-19-20(10-6-11-21(19)27-23)25(30)26-16-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,26,30).
What are the key properties of N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide?
N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-oxo-3H-indol-1-yl)quinoline-5-carboxamide is sourced from PubChem (CID 174510300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).