1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C19H18N2O3 — CID 146083168

IUPAC1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18N2O3/c22-18(23)15-6-3-9-17-14(15)7-4-11-20(17)19(24)21-12-10-13-5-1-2-8-16(13)21/h1-3,5-6,8-9H,4,7,10-12H2,(H,22,23)
InChIKeyQQOWMBYPGDFIOM-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.32
Rot. Bonds1

About 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 146083168) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID146083168
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18N2O3/c22-18(23)15-6-3-9-17-14(15)7-4-11-20(17)19(24)21-12-10-13-5-1-2-8-16(13)21/h1-3,5-6,8-9H,4,7,10-12H2,(H,22,23)
InChIKeyQQOWMBYPGDFIOM-UHFFFAOYSA-N
XLogP3.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
CID 21186078
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
1-(2-propan-2-ylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60831334
1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61161658
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 146083168) is 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is QQOWMBYPGDFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(23)15-6-3-9-17-14(15)7-4-11-20(17)19(24)21-12-10-13-5-1-2-8-16(13)21/h1-3,5-6,8-9H,4,7,10-12H2,(H,22,23).
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 146083168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).