1-[4-(quinolin-6-ylamino)phenyl]ethanone

C17H14N2O — CID 82536653

IUPAC1-[4-(quinolin-6-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc3ncccc3c2)cc1
InChIInChI=1S/C17H14N2O/c1-12(20)13-4-6-15(7-5-13)19-16-8-9-17-14(11-16)3-2-10-18-17/h2-11,19H,1H3
InChIKeyDXDDTFAFHPVRBD-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-(quinolin-6-ylamino)phenyl]ethanone

1-[4-(quinolin-6-ylamino)phenyl]ethanone (PubChem CID 82536653) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[4-(quinolin-6-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(quinolin-6-ylamino)phenyl]ethanone
PubChem CID82536653
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[4-(quinolin-6-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc3ncccc3c2)cc1
InChIInChI=1S/C17H14N2O/c1-12(20)13-4-6-15(7-5-13)19-16-8-9-17-14(11-16)3-2-10-18-17/h2-11,19H,1H3
InChIKeyDXDDTFAFHPVRBD-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
N-quinolin-6-ylbenzamide
CID 833617
2-(quinolin-6-ylamino)pyridine-4-carboxamide
CID 117094623
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
3-methyl-2-(quinolin-6-ylamino)butanoic acid
CID 82539325
ethane;quinoline-6-carboxylic acid
CID 91364452
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
3-(4-acetylanilino)benzoic acid
CID 11184397
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(quinolin-6-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(quinolin-6-ylamino)phenyl]ethanone (CID 82536653) is 1-[4-(quinolin-6-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(quinolin-6-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(quinolin-6-ylamino)phenyl]ethanone is CC(=O)c1ccc(Nc2ccc3ncccc3c2)cc1.
What is the InChIKey of 1-[4-(quinolin-6-ylamino)phenyl]ethanone?
The InChIKey is DXDDTFAFHPVRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12(20)13-4-6-15(7-5-13)19-16-8-9-17-14(11-16)3-2-10-18-17/h2-11,19H,1H3.
What are the key properties of 1-[4-(quinolin-6-ylamino)phenyl]ethanone?
1-[4-(quinolin-6-ylamino)phenyl]ethanone has a molecular weight of 262.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(quinolin-6-ylamino)phenyl]ethanone is sourced from PubChem (CID 82536653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).