1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H20N2O3 — CID 61161658

IUPAC1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(C)NCC(=O)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-10(2)16-9-14(18)17-8-4-6-11-12(15(19)20)5-3-7-13(11)17/h3,5,7,10,16H,4,6,8-9H2,1-2H3,(H,19,20)
InChIKeySTCUUNSYLSCURP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 61161658) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID61161658
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESCC(C)NCC(=O)N1CCCc2c(C(=O)O)cccc21
InChIInChI=1S/C15H20N2O3/c1-10(2)16-9-14(18)17-8-4-6-11-12(15(19)20)5-3-7-13(11)17/h3,5,7,10,16H,4,6,8-9H2,1-2H3,(H,19,20)
InChIKeySTCUUNSYLSCURP-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60831334
1-[2-[(2-aminoacetyl)amino]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61162245
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
1-(1-cyclopropylethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61197187
1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998468
1-[(2S,3S)-2-amino-3-methylpentanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61159737
1-[2-(azetidin-3-yl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 64611406
1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 78979818
1-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61208432
1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60858133
1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998450
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 61161658) is 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is CC(C)NCC(=O)N1CCCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is STCUUNSYLSCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)16-9-14(18)17-8-4-6-11-12(15(19)20)5-3-7-13(11)17/h3,5,7,10,16H,4,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 61161658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).