2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C19H26N2O — CID 110613094

IUPAC2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCc2ccc(N3CCCC3)cc21)C1CC1
InChIInChI=1S/C19H26N2O/c1-14(15-6-7-15)19(22)21-12-4-5-16-8-9-17(13-18(16)21)20-10-2-3-11-20/h8-9,13-15H,2-7,10-12H2,1H3
InChIKeyZZJWIQWNBGBZMC-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.61
Rot. Bonds3

About 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 110613094) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID110613094
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCc2ccc(N3CCCC3)cc21)C1CC1
InChIInChI=1S/C19H26N2O/c1-14(15-6-7-15)19(22)21-12-4-5-16-8-9-17(13-18(16)21)20-10-2-3-11-20/h8-9,13-15H,2-7,10-12H2,1H3
InChIKeyZZJWIQWNBGBZMC-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110359620
2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116674604
1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110359639
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315902
1-(2-methylpropanoyl)-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
CID 54594044
2-cyclopropyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110622787
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
2-cyclopropyl-N-(2-methoxy-5-piperidin-1-ylphenyl)propanamide
CID 110613175
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 110613094) is 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC(C(=O)N1CCCc2ccc(N3CCCC3)cc21)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is ZZJWIQWNBGBZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14(15-6-7-15)19(22)21-12-4-5-16-8-9-17(13-18(16)21)20-10-2-3-11-20/h8-9,13-15H,2-7,10-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 298.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 110613094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).