N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide

C20H17N3O2 — CID 51300002

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H17N3O2/c24-19(22-16-10-11-16)14-6-8-15(9-7-14)23-20(25)17-5-1-3-13-4-2-12-21-18(13)17/h1-9,12,16H,10-11H2,(H,22,24)(H,23,25)
InChIKeyITGMKUFYJMCQKY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.38
Rot. Bonds4

About N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide (PubChem CID 51300002) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
PubChem CID51300002
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H17N3O2/c24-19(22-16-10-11-16)14-6-8-15(9-7-14)23-20(25)17-5-1-3-13-4-2-12-21-18(13)17/h1-9,12,16H,10-11H2,(H,22,24)(H,23,25)
InChIKeyITGMKUFYJMCQKY-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-[4-(cyclopropylcarbamoyl)phenyl]-2-phenylbenzamide
CID 51299795
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
CID 134009435
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
CID 154747549
N-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide (CID 51300002) is N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide is O=C(NC1CC1)c1ccc(NC(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide?
The InChIKey is ITGMKUFYJMCQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(22-16-10-11-16)14-6-8-15(9-7-14)23-20(25)17-5-1-3-13-4-2-12-21-18(13)17/h1-9,12,16H,10-11H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 51300002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).