2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide

C23H22N2O — CID 46533084

IUPAC2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H22N2O/c26-22(24-15-23(12-13-23)17-6-2-1-3-7-17)19-14-21(16-10-11-16)25-20-9-5-4-8-18(19)20/h1-9,14,16H,10-13,15H2,(H,24,26)
InChIKeyWBSKRZXMHXWFHF-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.57
Rot. Bonds5

About 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide (PubChem CID 46533084) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
PubChem CID46533084
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H22N2O/c26-22(24-15-23(12-13-23)17-6-2-1-3-7-17)19-14-21(16-10-11-16)25-20-9-5-4-8-18(19)20/h1-9,14,16H,10-13,15H2,(H,24,26)
InChIKeyWBSKRZXMHXWFHF-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide (CID 46533084) is 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide?
The InChIKey is WBSKRZXMHXWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c26-22(24-15-23(12-13-23)17-6-2-1-3-7-17)19-14-21(16-10-11-16)25-20-9-5-4-8-18(19)20/h1-9,14,16H,10-13,15H2,(H,24,26).
What are the key properties of 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46533084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).