trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide

C16H16N2O — CID 166272446

IUPACtrans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H]1c1ccnc2ccccc12
InChIInChI=1S/C16H16N2O/c19-16(18-10-5-6-10)14-9-13(14)11-7-8-17-15-4-2-1-3-12(11)15/h1-4,7-8,10,13-14H,5-6,9H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyRYFOCSOVIILDNR-UONOGXRCSA-N
MW252.32 g/mol
LogP2.62
Rot. Bonds3

About trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide (PubChem CID 166272446) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
PubChem CID166272446
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Nametrans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H]1c1ccnc2ccccc12
InChIInChI=1S/C16H16N2O/c19-16(18-10-5-6-10)14-9-13(14)11-7-8-17-15-4-2-1-3-12(11)15/h1-4,7-8,10,13-14H,5-6,9H2,(H,18,19)/t13-,14+/m0/s1
InChIKeyRYFOCSOVIILDNR-UONOGXRCSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(hydroxymethyl)piperidin-1-yl]-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone
CID 154847711
2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide
CID 167864337
(4-hydroxy-3,3,5,5-tetramethylpiperidin-1-yl)-[(1R,2R)-2-quinolin-4-ylcyclopropyl]methanone
CID 166318249
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
N-(1,1-dioxothiolan-3-yl)-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 71932285
2-naphthalen-1-yl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119454446
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
cis-(1R,3S)-N-cyclopropyl-3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 124860014
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide (CID 166272446) is trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H]1c1ccnc2ccccc12.
What is the InChIKey of trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide?
The InChIKey is RYFOCSOVIILDNR-UONOGXRCSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(18-10-5-6-10)14-9-13(14)11-7-8-17-15-4-2-1-3-12(11)15/h1-4,7-8,10,13-14H,5-6,9H2,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 166272446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).