N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide

C27H19N3O2 — CID 91266740

IUPACN-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H19N3O2/c31-26(22-13-12-18-6-1-2-8-20(18)16-22)28-23-10-5-9-21(17-23)27(32)30-25-15-14-19-7-3-4-11-24(19)29-25/h1-17H,(H,28,31)(H,29,30,32)
InChIKeyFUBVDSFKTCDEOG-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.89
Rot. Bonds4

About N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide

N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 91266740) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID91266740
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC NameN-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C27H19N3O2/c31-26(22-13-12-18-6-1-2-8-20(18)16-22)28-23-10-5-9-21(17-23)27(32)30-25-15-14-19-7-3-4-11-24(19)29-25/h1-17H,(H,28,31)(H,29,30,32)
InChIKeyFUBVDSFKTCDEOG-UHFFFAOYSA-N
XLogP5.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
CID 68778884
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
3,5-difluoro-N-quinolin-2-ylbenzamide
CID 51193516
3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
CID 55376504
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide
CID 89318821
N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
3-fluoro-N-(3-quinolin-2-ylphenyl)benzamide
CID 46376278

Frequently Asked Questions

What is the IUPAC name of N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide (CID 91266740) is N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is FUBVDSFKTCDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c31-26(22-13-12-18-6-1-2-8-20(18)16-22)28-23-10-5-9-21(17-23)27(32)30-25-15-14-19-7-3-4-11-24(19)29-25/h1-17H,(H,28,31)(H,29,30,32).
What are the key properties of N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide?
N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 91266740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).