N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide

C26H17ClN2O — CID 71659919

IUPACN-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc2cccc(-c3ccc(Cl)cc3)c12)c1ccc2ccccc2n1
InChIInChI=1S/C26H17ClN2O/c27-20-14-11-17(12-15-20)21-8-3-6-19-7-4-10-23(25(19)21)29-26(30)24-16-13-18-5-1-2-9-22(18)28-24/h1-16H,(H,29,30)
InChIKeyPYFUNLLAJDUBLX-UHFFFAOYSA-N
MW408.89 g/mol
LogP6.96
Rot. Bonds3

About N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide

N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide (PubChem CID 71659919) has the molecular formula C26H17ClN2O and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
PubChem CID71659919
Molecular FormulaC26H17ClN2O
Molecular Weight408.89 g/mol
Exact Mass408.10
IUPAC NameN-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc2cccc(-c3ccc(Cl)cc3)c12)c1ccc2ccccc2n1
InChIInChI=1S/C26H17ClN2O/c27-20-14-11-17(12-15-20)21-8-3-6-19-7-4-10-23(25(19)21)29-26(30)24-16-13-18-5-1-2-9-22(18)28-24/h1-16H,(H,29,30)
InChIKeyPYFUNLLAJDUBLX-UHFFFAOYSA-N
XLogP6.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[8-(4-bromophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659560
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 72714120
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
CID 119050195

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide?
The IUPAC name of N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide (CID 71659919) is N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide is O=C(Nc1cccc2cccc(-c3ccc(Cl)cc3)c12)c1ccc2ccccc2n1.
What is the InChIKey of N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide?
The InChIKey is PYFUNLLAJDUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClN2O/c27-20-14-11-17(12-15-20)21-8-3-6-19-7-4-10-23(25(19)21)29-26(30)24-16-13-18-5-1-2-9-22(18)28-24/h1-16H,(H,29,30).
What are the key properties of N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide?
N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 6.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide is sourced from PubChem (CID 71659919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).