3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide

C25H18N4O — CID 10157205

IUPAC3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccnc2ccccc12)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H18N4O/c30-25(29-27-16-18-14-15-26-21-12-6-4-10-19(18)21)24-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-24/h1-16,28H,(H,29,30)/b27-16+
InChIKeyBLPVIDLFMIKEBM-JVWAILMASA-N
MW390.45 g/mol
LogP5.15
Rot. Bonds4

About 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide

3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide (PubChem CID 10157205) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
PubChem CID10157205
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccnc2ccccc12)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H18N4O/c30-25(29-27-16-18-14-15-26-21-12-6-4-10-19(18)21)24-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-24/h1-16,28H,(H,29,30)/b27-16+
InChIKeyBLPVIDLFMIKEBM-JVWAILMASA-N
XLogP5.15
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135418261
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70119777
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 10272869
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
CID 91078245
[2,4-dibromo-6-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126399498
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126402812
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3,4-diethoxybenzoate
CID 126402657
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide (CID 10157205) is 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1ccnc2ccccc12)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide?
The InChIKey is BLPVIDLFMIKEBM-JVWAILMASA-N. The full InChI is InChI=1S/C25H18N4O/c30-25(29-27-16-18-14-15-26-21-12-6-4-10-19(18)21)24-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-24/h1-16,28H,(H,29,30)/b27-16+.
What are the key properties of 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide?
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 10157205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).