N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide

C17H17N3O — CID 95310623

IUPACN-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H17N3O/c1-2-12(10-18)19-17(21)14-9-16(11-7-8-11)20-15-6-4-3-5-13(14)15/h3-6,9,11-12H,2,7-8H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyBFRVEKXGWINITC-LBPRGKRZSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds4

About N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide

N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide (PubChem CID 95310623) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
PubChem CID95310623
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H17N3O/c1-2-12(10-18)19-17(21)14-9-16(11-7-8-11)20-15-6-4-3-5-13(14)15/h3-6,9,11-12H,2,7-8H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyBFRVEKXGWINITC-LBPRGKRZSA-N
XLogP3.14
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 17406063
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 1226462
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide (CID 95310623) is N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide is CC[C@@H](C#N)NC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide?
The InChIKey is BFRVEKXGWINITC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-12(10-18)19-17(21)14-9-16(11-7-8-11)20-15-6-4-3-5-13(14)15/h3-6,9,11-12H,2,7-8H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide?
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 95310623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).