2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

C23H20N2O3 — CID 120534067

IUPAC2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(C3CC3)nc3ccccc23)Cc2ccccc21
InChIInChI=1S/C23H20N2O3/c26-22(25-12-15-5-1-2-6-16(15)19(13-25)23(27)28)18-11-21(14-9-10-14)24-20-8-4-3-7-17(18)20/h1-8,11,14,19H,9-10,12-13H2,(H,27,28)
InChIKeyDSPSJQLPJMCPKJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.94
Rot. Bonds3

About 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 120534067) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID120534067
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(C3CC3)nc3ccccc23)Cc2ccccc21
InChIInChI=1S/C23H20N2O3/c26-22(25-12-15-5-1-2-6-16(15)19(13-25)23(27)28)18-11-21(14-9-10-14)24-20-8-4-3-7-17(18)20/h1-8,11,14,19H,9-10,12-13H2,(H,27,28)
InChIKeyDSPSJQLPJMCPKJ-UHFFFAOYSA-N
XLogP3.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 167876722
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
(2-cyclopropylquinolin-4-yl)-[(6S)-6-hydroxy-1,4-oxazepan-4-yl]methanone
CID 97434231
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
(2-cyclopropylquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135095200
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
CID 126838949
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
2-(1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 167791761

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 120534067) is 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is O=C(O)C1CN(C(=O)c2cc(C3CC3)nc3ccccc23)Cc2ccccc21.
What is the InChIKey of 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is DSPSJQLPJMCPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(25-12-15-5-1-2-6-16(15)19(13-25)23(27)28)18-11-21(14-9-10-14)24-20-8-4-3-7-17(18)20/h1-8,11,14,19H,9-10,12-13H2,(H,27,28).
What are the key properties of 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 120534067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).