1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one

C23H22N2O2 — CID 578056

IUPAC1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccco1
InChIInChI=1S/C23H22N2O2/c1-17-16-21(24-18-8-3-2-4-9-18)20-11-5-6-12-22(20)25(17)23(26)14-13-19-10-7-15-27-19/h2-15,17,21,24H,16H2,1H3
InChIKeyCSHHKOJCPNRDGU-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.27
Rot. Bonds4

About 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one

1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 578056) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID578056
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCC1CC(Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccco1
InChIInChI=1S/C23H22N2O2/c1-17-16-21(24-18-8-3-2-4-9-18)20-11-5-6-12-22(20)25(17)23(26)14-13-19-10-7-15-27-19/h2-15,17,21,24H,16H2,1H3
InChIKeyCSHHKOJCPNRDGU-UHFFFAOYSA-N
XLogP5.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 6545672
(E)-3-(furan-2-yl)-N-[(2S,4R)-1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylprop-2-enamide
CID 2323052
(E)-1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 1312733
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
1-adamantyl-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 29056322
[(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
CID 1048856
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
4-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanoate
CID 7283388
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 713549
[(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-nitrophenyl)methanone
CID 1114768
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-thiophen-2-ylethanone
CID 7381090
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one (CID 578056) is 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one is CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)C=Cc1ccco1.
What is the InChIKey of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is CSHHKOJCPNRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-16-21(24-18-8-3-2-4-9-18)20-11-5-6-12-22(20)25(17)23(26)14-13-19-10-7-15-27-19/h2-15,17,21,24H,16H2,1H3.
What are the key properties of 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one?
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 358.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 578056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).