1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one

C22H17NO2 — CID 668612

IUPAC1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one
SMILESO=C1CCN(C(=O)C=Cc2ccccc2)c2cc3ccccc3cc21
InChIInChI=1S/C22H17NO2/c24-21-12-13-23(22(25)11-10-16-6-2-1-3-7-16)20-15-18-9-5-4-8-17(18)14-19(20)21/h1-11,14-15H,12-13H2
InChIKeyGOTNOTCXROPXJD-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.47
Rot. Bonds2

About 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one

1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one (PubChem CID 668612) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one.

Molecular Properties

Compound Name1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one
PubChem CID668612
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one
SMILESO=C1CCN(C(=O)C=Cc2ccccc2)c2cc3ccccc3cc21
InChIInChI=1S/C22H17NO2/c24-21-12-13-23(22(25)11-10-16-6-2-1-3-7-16)20-15-18-9-5-4-8-17(18)14-19(20)21/h1-11,14-15H,12-13H2
InChIKeyGOTNOTCXROPXJD-UHFFFAOYSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.47
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

(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
CID 708145
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489
3-(3-bromophenyl)-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 5139349
(E)-1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-3-phenylprop-2-en-1-one
CID 97416089
(E)-1-(2-methylidene-1,3-thiazolidin-3-yl)-3-phenylprop-2-en-1-one
CID 15533131
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
1-(3-phenylprop-2-enyl)-2,3-dihydroquinolin-4-one
CID 77033480
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740
6-fluoro-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 110635094
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one?
The IUPAC name of 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one (CID 668612) is 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one.
What is the SMILES notation for 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one?
The canonical SMILES for 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one is O=C1CCN(C(=O)C=Cc2ccccc2)c2cc3ccccc3cc21.
What is the InChIKey of 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one?
The InChIKey is GOTNOTCXROPXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-12-13-23(22(25)11-10-16-6-2-1-3-7-16)20-15-18-9-5-4-8-17(18)14-19(20)21/h1-11,14-15H,12-13H2.
What are the key properties of 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one?
1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one has a molecular weight of 327.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enoyl)-2,3-dihydrobenzo[g]quinolin-4-one is sourced from PubChem (CID 668612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).