3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C20H24N2O4 — CID 56762116

IUPAC3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C20H24N2O4/c1-20(2)15(16(20)19(25)26)17(23)21-13-8-7-11-4-3-9-22(14(11)10-13)18(24)12-5-6-12/h7-8,10,12,15-16H,3-6,9H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyNHAQLKDPSRCBOA-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.67
Rot. Bonds4

About 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 56762116) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID56762116
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C20H24N2O4/c1-20(2)15(16(20)19(25)26)17(23)21-13-8-7-11-4-3-9-22(14(11)10-13)18(24)12-5-6-12/h7-8,10,12,15-16H,3-6,9H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyNHAQLKDPSRCBOA-UHFFFAOYSA-N
XLogP2.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1S,3S)-3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391466
cis-(1R,3S)-3-[(1-carbamoyl-2,3-dihydroindol-6-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066499
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
3-[[4-(cyclobutanecarbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56763363
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
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
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 7586187
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 56762116) is 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is NHAQLKDPSRCBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2)15(16(20)19(25)26)17(23)21-13-8-7-11-4-3-9-22(14(11)10-13)18(24)12-5-6-12/h7-8,10,12,15-16H,3-6,9H2,1-2H3,(H,21,23)(H,25,26).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 56762116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).