3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide

C21H21N3O — CID 170508856

IUPAC3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2c(C3CC3)cc(-c3cccnc3)nc2c1
InChIInChI=1S/C21H21N3O/c1-22-21(25)9-5-14-4-8-17-18(15-6-7-15)12-19(24-20(17)11-14)16-3-2-10-23-13-16/h2-4,8,10-13,15H,5-7,9H2,1H3,(H,22,25)
InChIKeyGZCFXLKEZJSAFA-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.85
Rot. Bonds5

About 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide

3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide (PubChem CID 170508856) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide
PubChem CID170508856
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2c(C3CC3)cc(-c3cccnc3)nc2c1
InChIInChI=1S/C21H21N3O/c1-22-21(25)9-5-14-4-8-17-18(15-6-7-15)12-19(24-20(17)11-14)16-3-2-10-23-13-16/h2-4,8,10-13,15H,5-7,9H2,1H3,(H,22,25)
InChIKeyGZCFXLKEZJSAFA-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-cyclopropyl-2-[4-(2H-tetrazol-5-yl)phenyl]quinolin-7-yl]-N-methylpropanamide
CID 170506948
N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine
CID 155102612
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
2-[4-cyclopropyl-2-(3-propan-2-yloxyphenyl)quinolin-6-yl]acetamide
CID 170506236
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
N-(7-fluoro-4-methyl-2-pyridin-3-ylquinolin-6-yl)acetamide
CID 169413855
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55619404
N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
CID 135372029

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide?
The IUPAC name of 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide (CID 170508856) is 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide?
The canonical SMILES for 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide is CNC(=O)CCc1ccc2c(C3CC3)cc(-c3cccnc3)nc2c1.
What is the InChIKey of 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide?
The InChIKey is GZCFXLKEZJSAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-22-21(25)9-5-14-4-8-17-18(15-6-7-15)12-19(24-20(17)11-14)16-3-2-10-23-13-16/h2-4,8,10-13,15H,5-7,9H2,1H3,(H,22,25).
What are the key properties of 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide?
3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2-pyridin-3-ylquinolin-7-yl)-N-methylpropanamide is sourced from PubChem (CID 170508856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).