2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone

C18H17NO — CID 154269725

IUPAC2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
SMILESCN1C(=CC(=O)c2ccccc2)CCc2ccccc21
InChIInChI=1S/C18H17NO/c1-19-16(12-11-14-7-5-6-10-17(14)19)13-18(20)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3
InChIKeyKHOZECHRUWOOBG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.84
Rot. Bonds2

About 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone

2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone (PubChem CID 154269725) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
PubChem CID154269725
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
SMILESCN1C(=CC(=O)c2ccccc2)CCc2ccccc21
InChIInChI=1S/C18H17NO/c1-19-16(12-11-14-7-5-6-10-17(14)19)13-18(20)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3
InChIKeyKHOZECHRUWOOBG-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
(2E)-1-phenyl-2-[1,4,6-trimethyl-4-[(2E)-1,4,6-trimethyl-2-phenacylidene-3H-pyridin-4-yl]-3H-pyridin-2-ylidene]ethanone
CID 5369807
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
(2E)-1-phenyl-2-(3,4,4-trimethyl-1,3-thiazolidin-2-ylidene)ethanone
CID 177476304
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)ethanone
CID 4702134
(2Z)-1-(4-bromophenyl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanone
CID 6193952
3-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]propanoic acid
CID 10565216
benzoic acid;1,4-dimethylpiperazine
CID 166460840
10-methyl-9H-acridine-1-carbothioic S-acid
CID 150025643
4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-oxobut-2-enoic acid
CID 77054964

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone?
The IUPAC name of 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone (CID 154269725) is 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone.
What is the SMILES notation for 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone?
The canonical SMILES for 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone is CN1C(=CC(=O)c2ccccc2)CCc2ccccc21.
What is the InChIKey of 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone?
The InChIKey is KHOZECHRUWOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-19-16(12-11-14-7-5-6-10-17(14)19)13-18(20)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3.
What are the key properties of 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone?
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone has a molecular weight of 263.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone is sourced from PubChem (CID 154269725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).