1-pentan-3-yl-4H-quinoline-3-carboxylic acid

C15H19NO2 — CID 144988875

IUPAC1-pentan-3-yl-4H-quinoline-3-carboxylic acid
SMILESCCC(CC)N1C=C(C(=O)O)Cc2ccccc21
InChIInChI=1S/C15H19NO2/c1-3-13(4-2)16-10-12(15(17)18)9-11-7-5-6-8-14(11)16/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyYUSUQKXTBWIAAS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.21
Rot. Bonds4

About 1-pentan-3-yl-4H-quinoline-3-carboxylic acid

1-pentan-3-yl-4H-quinoline-3-carboxylic acid (PubChem CID 144988875) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-pentan-3-yl-4H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-pentan-3-yl-4H-quinoline-3-carboxylic acid
PubChem CID144988875
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-pentan-3-yl-4H-quinoline-3-carboxylic acid
SMILESCCC(CC)N1C=C(C(=O)O)Cc2ccccc21
InChIInChI=1S/C15H19NO2/c1-3-13(4-2)16-10-12(15(17)18)9-11-7-5-6-8-14(11)16/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyYUSUQKXTBWIAAS-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-4H-quinoline-3-carboxylic acid
CID 140989260
1-(4-ethylpiperazin-1-yl)-4H-quinoline-3-carboxylic acid
CID 70354341
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
ethyl 1-piperidin-3-yl-4H-quinoline-3-carboxylate
CID 141255355
2-(1,3-dihydroisoindol-2-yl)butanoic acid
CID 60727432
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 43473224
2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189508
N-pentan-3-yl-2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)propanamide
CID 63101585

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4H-quinoline-3-carboxylic acid?
The IUPAC name of 1-pentan-3-yl-4H-quinoline-3-carboxylic acid (CID 144988875) is 1-pentan-3-yl-4H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-pentan-3-yl-4H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-pentan-3-yl-4H-quinoline-3-carboxylic acid is CCC(CC)N1C=C(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-pentan-3-yl-4H-quinoline-3-carboxylic acid?
The InChIKey is YUSUQKXTBWIAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-13(4-2)16-10-12(15(17)18)9-11-7-5-6-8-14(11)16/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 1-pentan-3-yl-4H-quinoline-3-carboxylic acid?
1-pentan-3-yl-4H-quinoline-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4H-quinoline-3-carboxylic acid is sourced from PubChem (CID 144988875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).