2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide

C20H19N3O — CID 17406063

IUPAC2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)nc2ccccc12)c1cccnc1
InChIInChI=1S/C20H19N3O/c1-13(15-5-4-10-21-12-15)22-20(24)17-11-19(14-8-9-14)23-18-7-3-2-6-16(17)18/h2-7,10-14H,8-9H2,1H3,(H,22,24)
InChIKeyMQKZDBNBCINLRS-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.00
Rot. Bonds4

About 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide

2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide (PubChem CID 17406063) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
PubChem CID17406063
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(C2CC2)nc2ccccc12)c1cccnc1
InChIInChI=1S/C20H19N3O/c1-13(15-5-4-10-21-12-15)22-20(24)17-11-19(14-8-9-14)23-18-7-3-2-6-16(17)18/h2-7,10-14H,8-9H2,1H3,(H,22,24)
InChIKeyMQKZDBNBCINLRS-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 24619819
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
N-propan-2-yl-2-[(2S)-4-(pyridine-3-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 95815271
6-cyclopropyl-N-[2-(1-phenylethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16557300
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide (CID 17406063) is 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide is CC(NC(=O)c1cc(C2CC2)nc2ccccc12)c1cccnc1.
What is the InChIKey of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide?
The InChIKey is MQKZDBNBCINLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13(15-5-4-10-21-12-15)22-20(24)17-11-19(14-8-9-14)23-18-7-3-2-6-16(17)18/h2-7,10-14H,8-9H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide?
2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 17406063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).