2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid

C16H19NO3 — CID 120976101

IUPAC2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCc1ccc2c(c1)N(C(=O)C1CCC1C(=O)O)CCC2
InChIInChI=1S/C16H19NO3/c1-10-4-5-11-3-2-8-17(14(11)9-10)15(18)12-6-7-13(12)16(19)20/h4-5,9,12-13H,2-3,6-8H2,1H3,(H,19,20)
InChIKeyVXGCDQWUHDUCCS-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.39
Rot. Bonds2

About 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid

2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 120976101) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID120976101
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESCc1ccc2c(c1)N(C(=O)C1CCC1C(=O)O)CCC2
InChIInChI=1S/C16H19NO3/c1-10-4-5-11-3-2-8-17(14(11)9-10)15(18)12-6-7-13(12)16(19)20/h4-5,9,12-13H,2-3,6-8H2,1H3,(H,19,20)
InChIKeyVXGCDQWUHDUCCS-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120793074
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
trans-(1S,2S)-2-(6-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119924
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
2-(5-methyl-6-nitro-2,3-dihydroindole-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120977505
3-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 119951464
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid (CID 120976101) is 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid is Cc1ccc2c(c1)N(C(=O)C1CCC1C(=O)O)CCC2.
What is the InChIKey of 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is VXGCDQWUHDUCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-4-5-11-3-2-8-17(14(11)9-10)15(18)12-6-7-13(12)16(19)20/h4-5,9,12-13H,2-3,6-8H2,1H3,(H,19,20).
What are the key properties of 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid?
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).