1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

C16H16N2O3 — CID 43325444

IUPAC1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCn1cccc1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H16N2O3/c1-17-8-3-5-14(17)15(19)18-9-2-4-11-10-12(16(20)21)6-7-13(11)18/h3,5-8,10H,2,4,9H2,1H3,(H,20,21)
InChIKeyJXVCIDQUQSFYRO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.32
Rot. Bonds2

About 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 43325444) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID43325444
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCn1cccc1C(=O)N1CCCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H16N2O3/c1-17-8-3-5-14(17)15(19)18-9-2-4-11-10-12(16(20)21)6-7-13(11)18/h3,5-8,10H,2,4,9H2,1H3,(H,20,21)
InChIKeyJXVCIDQUQSFYRO-UHFFFAOYSA-N
XLogP2.32
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325451
1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 60759910
(4-amino-1-methylpyrrol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642979
1-(2-methoxy-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 103018179
1-(2-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43325464
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894
1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 65199902
1-[2-(methylamino)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 62638451
1-[2-(butan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157597
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
1-[2-(triazol-1-yl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 115348069

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 43325444) is 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is Cn1cccc1C(=O)N1CCCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is JXVCIDQUQSFYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-17-8-3-5-14(17)15(19)18-9-2-4-11-10-12(16(20)21)6-7-13(11)18/h3,5-8,10H,2,4,9H2,1H3,(H,20,21).
What are the key properties of 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 43325444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).