N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide

C26H18N4O2 — CID 171577203

IUPACN-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cnc3ccccc3c2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C26H18N4O2/c31-25(19-12-17-6-1-3-10-23(17)27-15-19)29-21-8-5-9-22(14-21)30-26(32)20-13-18-7-2-4-11-24(18)28-16-20/h1-16H,(H,29,31)(H,30,32)
InChIKeyCSCUIEYSVCGQGU-UHFFFAOYSA-N
MW418.46 g/mol
LogP5.29
Rot. Bonds4

About N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide

N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide (PubChem CID 171577203) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
PubChem CID171577203
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC NameN-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cnc3ccccc3c2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C26H18N4O2/c31-25(19-12-17-6-1-3-10-23(17)27-15-19)29-21-8-5-9-22(14-21)30-26(32)20-13-18-7-2-4-11-24(18)28-16-20/h1-16H,(H,29,31)(H,30,32)
InChIKeyCSCUIEYSVCGQGU-UHFFFAOYSA-N
XLogP5.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
N-(2-methylsulfonyl-4-pyridinyl)quinoline-3-carboxamide
CID 175916603
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
quinoline-3-carboxamide;hydrofluoride
CID 174911514
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644

Frequently Asked Questions

What is the IUPAC name of N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide (CID 171577203) is N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cnc3ccccc3c2)c1)c1cnc2ccccc2c1.
What is the InChIKey of N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide?
The InChIKey is CSCUIEYSVCGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2/c31-25(19-12-17-6-1-3-10-23(17)27-15-19)29-21-8-5-9-22(14-21)30-26(32)20-13-18-7-2-4-11-24(18)28-16-20/h1-16H,(H,29,31)(H,30,32).
What are the key properties of N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide?
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 171577203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).