2-(propan-2-ylamino)-1-quinolin-6-ylethanone

C14H16N2O — CID 116554909

IUPAC2-(propan-2-ylamino)-1-quinolin-6-ylethanone
SMILESCC(C)NCC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O/c1-10(2)16-9-14(17)12-5-6-13-11(8-12)4-3-7-15-13/h3-8,10,16H,9H2,1-2H3
InChIKeyZMXWOCKHTRQPGR-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(propan-2-ylamino)-1-quinolin-6-ylethanone

2-(propan-2-ylamino)-1-quinolin-6-ylethanone (PubChem CID 116554909) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-quinolin-6-ylethanone
PubChem CID116554909
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(propan-2-ylamino)-1-quinolin-6-ylethanone
SMILESCC(C)NCC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O/c1-10(2)16-9-14(17)12-5-6-13-11(8-12)4-3-7-15-13/h3-8,10,16H,9H2,1-2H3
InChIKeyZMXWOCKHTRQPGR-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
3-(aminomethyl)-5-methyl-1-quinolin-6-ylhexan-1-one
CID 116576913
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
CID 79328770
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-quinolin-6-ylethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-quinolin-6-ylethanone (CID 116554909) is 2-(propan-2-ylamino)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-quinolin-6-ylethanone is CC(C)NCC(=O)c1ccc2ncccc2c1.
What is the InChIKey of 2-(propan-2-ylamino)-1-quinolin-6-ylethanone?
The InChIKey is ZMXWOCKHTRQPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)16-9-14(17)12-5-6-13-11(8-12)4-3-7-15-13/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-quinolin-6-ylethanone?
2-(propan-2-ylamino)-1-quinolin-6-ylethanone has a molecular weight of 228.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-quinolin-6-ylethanone is sourced from PubChem (CID 116554909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).