3-butyl-4-oxo-1H-quinoline-2-carbaldehyde

C14H15NO2 — CID 174731856

IUPAC3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
SMILESCCCCc1c(C=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15NO2/c1-2-3-6-11-13(9-16)15-12-8-5-4-7-10(12)14(11)17/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyDGOJTMZYKDHFLS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds4

About 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde

3-butyl-4-oxo-1H-quinoline-2-carbaldehyde (PubChem CID 174731856) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
PubChem CID174731856
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
SMILESCCCCc1c(C=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15NO2/c1-2-3-6-11-13(9-16)15-12-8-5-4-7-10(12)14(11)17/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyDGOJTMZYKDHFLS-UHFFFAOYSA-N
XLogP2.68
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-(2-methoxyethyl)-1H-indole-2-carbaldehyde
CID 121011064
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
ethyl 2-(2-formyl-1H-indol-3-yl)acetate
CID 82390658
(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
CID 140979730
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
9,10-dibutylanthracene
CID 605822
2-[(heptylamino)methyl]-3-methyl-1H-quinolin-4-one
CID 59526954
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde?
The IUPAC name of 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde (CID 174731856) is 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde.
What is the SMILES notation for 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde?
The canonical SMILES for 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde is CCCCc1c(C=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde?
The InChIKey is DGOJTMZYKDHFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-6-11-13(9-16)15-12-8-5-4-7-10(12)14(11)17/h4-5,7-9H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde?
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-oxo-1H-quinoline-2-carbaldehyde is sourced from PubChem (CID 174731856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).