N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide

C18H24N2O2 — CID 7656487

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C18H24N2O2/c1-12(2)10-17(21)19-15-7-8-16-14(11-15)4-3-9-20(16)18(22)13-5-6-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,21)
InChIKeyXWXUVGFHPKDVFI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide (PubChem CID 7656487) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
PubChem CID7656487
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C18H24N2O2/c1-12(2)10-17(21)19-15-7-8-16-14(11-15)4-3-9-20(16)18(22)13-5-6-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,21)
InChIKeyXWXUVGFHPKDVFI-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27604546
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 7657138
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 27368896
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide (CID 7656487) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
The InChIKey is XWXUVGFHPKDVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)10-17(21)19-15-7-8-16-14(11-15)4-3-9-20(16)18(22)13-5-6-13/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide has a molecular weight of 300.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide is sourced from PubChem (CID 7656487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).