1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

C16H22N2O3 — CID 61157597

IUPAC1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCCC(C)NCC(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-11(2)17-10-15(19)18-8-4-5-12-9-13(16(20)21)6-7-14(12)18/h6-7,9,11,17H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeyBBYONFHSNNKAGL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 61157597) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID61157597
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCCC(C)NCC(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-11(2)17-10-15(19)18-8-4-5-12-9-13(16(20)21)6-7-14(12)18/h6-7,9,11,17H,3-5,8,10H2,1-2H3,(H,20,21)
InChIKeyBBYONFHSNNKAGL-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
1-[2-(tert-butylamino)acetyl]-2,3-dihydroindole-5-carboxylic acid
CID 79257375
1-[2-(ethylamino)-2-methylpropanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62834215
1-[(E)-2-methylpent-2-enoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325445
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
1-[6-(2-chloropropanoyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82259061
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-bromobutan-1-one
CID 82136334
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 114873454
N-[(2S)-butan-2-yl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086764
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(methylamino)ethanone
CID 82118496
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 61157597) is 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is CCC(C)NCC(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is BBYONFHSNNKAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11(2)17-10-15(19)18-8-4-5-12-9-13(16(20)21)6-7-14(12)18/h6-7,9,11,17H,3-5,8,10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 61157597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).