3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one

C18H26N2O — CID 133064609

IUPAC3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one
SMILESCc1cc2c(cc1C(=O)C=CN(C)C)NC(C)(C)CC2C
InChIInChI=1S/C18H26N2O/c1-12-9-14-13(2)11-18(3,4)19-16(14)10-15(12)17(21)7-8-20(5)6/h7-10,13,19H,11H2,1-6H3
InChIKeyGYHLZLLIKPLNDU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.95
Rot. Bonds3

About 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one

3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one (PubChem CID 133064609) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one
PubChem CID133064609
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one
SMILESCc1cc2c(cc1C(=O)C=CN(C)C)NC(C)(C)CC2C
InChIInChI=1S/C18H26N2O/c1-12-9-14-13(2)11-18(3,4)19-16(14)10-15(12)17(21)7-8-20(5)6/h7-10,13,19H,11H2,1-6H3
InChIKeyGYHLZLLIKPLNDU-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydrobenzo[g]quinolin-4(1H)-one
CID 607541
4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-mesitylbenzamide
CID 982581
3-[(3,4-Dimethylphenyl)imino]-1-(4-methylphenyl)-1-propen-1-ol
CID 5285370
6-Methyl-2,3-dihydroquinolin-4(1H)-one
CID 2834189
3-(1-Benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 9975916
3-(1-Benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 10090059
3-(1-Benzylpiperidin-4-yl)-1-(1-methyl-1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 10090965
N-(3-{1-[4-(4-methylphenyl)-4-oxobutyl]-4-piperidinyl}phenyl}-acetamide
CID 16756403
N-(3-{1-[4-(3,4-dimethylphenyl)-4-oxobutyl]-4-piperidinyl}phenyl)-acetamide
CID 16756405
2,2,4-Trimethyl-1,2-dihydroindeno[1,2-g]quinolin-10-one
CID 23433462
2,6-dimethyl-10H-acridin-9-one
CID 44532191
Apomorphine o-quinone
CID 10015619

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one (CID 133064609) is 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one is Cc1cc2c(cc1C(=O)C=CN(C)C)NC(C)(C)CC2C.
What is the InChIKey of 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one?
The InChIKey is GYHLZLLIKPLNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-9-14-13(2)11-18(3,4)19-16(14)10-15(12)17(21)7-8-20(5)6/h7-10,13,19H,11H2,1-6H3.
What are the key properties of 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one?
3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,2,4,6-tetramethyl-3,4-dihydro-1H-quinolin-7-yl)prop-2-en-1-one is sourced from PubChem (CID 133064609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).