N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide

C19H22N2O — CID 155104929

IUPACN-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
SMILESO=C(NC(CC1CC1)CC1CC1)c1cnc2ccccc2c1
InChIInChI=1S/C19H22N2O/c22-19(16-11-15-3-1-2-4-18(15)20-12-16)21-17(9-13-5-6-13)10-14-7-8-14/h1-4,11-14,17H,5-10H2,(H,21,22)
InChIKeyXCHKMKJYGBTCQC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.93
Rot. Bonds6

About N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide

N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide (PubChem CID 155104929) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
PubChem CID155104929
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
SMILESO=C(NC(CC1CC1)CC1CC1)c1cnc2ccccc2c1
InChIInChI=1S/C19H22N2O/c22-19(16-11-15-3-1-2-4-18(15)20-12-16)21-17(9-13-5-6-13)10-14-7-8-14/h1-4,11-14,17H,5-10H2,(H,21,22)
InChIKeyXCHKMKJYGBTCQC-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
N-[(2S)-1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 6724022
2-piperidin-4-yl-1-quinolin-3-ylethanone
CID 116559840
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-quinolin-3-ylethanone
CID 116588254
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide?
The IUPAC name of N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide (CID 155104929) is N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide is O=C(NC(CC1CC1)CC1CC1)c1cnc2ccccc2c1.
What is the InChIKey of N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide?
The InChIKey is XCHKMKJYGBTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(16-11-15-3-1-2-4-18(15)20-12-16)21-17(9-13-5-6-13)10-14-7-8-14/h1-4,11-14,17H,5-10H2,(H,21,22).
What are the key properties of N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide?
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155104929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).