2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide

C18H15N3O — CID 31745720

IUPAC2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H15N3O/c22-18(20-13-4-3-9-19-11-13)15-10-17(12-7-8-12)21-16-6-2-1-5-14(15)16/h1-6,9-12H,7-8H2,(H,20,22)
InChIKeyVWAXUTHCEXAXFC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.76
Rot. Bonds3

About 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide

2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 31745720) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
PubChem CID31745720
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H15N3O/c22-18(20-13-4-3-9-19-11-13)15-10-17(12-7-8-12)21-16-6-2-1-5-14(15)16/h1-6,9-12H,7-8H2,(H,20,22)
InChIKeyVWAXUTHCEXAXFC-UHFFFAOYSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 17406063
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
CID 112796017
4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide (CID 31745720) is 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1cccnc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is VWAXUTHCEXAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18(20-13-4-3-9-19-11-13)15-10-17(12-7-8-12)21-16-6-2-1-5-14(15)16/h1-6,9-12H,7-8H2,(H,20,22).
What are the key properties of 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide?
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 31745720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).