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

C18H26N2O — CID 125461524

IUPAC(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one
SMILESCc1cc2c(cc1C(=O)/C=C/N(C)C)[C@H](C)CC(C)(C)N2
InChIInChI=1S/C18H26N2O/c1-12-9-16-14(13(2)11-18(3,4)19-16)10-15(12)17(21)7-8-20(5)6/h7-10,13,19H,11H2,1-6H3/b8-7+/t13-/m1/s1
InChIKeyGPFBVQJWHQSKFI-SBDDDAINSA-N
MW286.42 g/mol
LogP3.95
Rot. Bonds3

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

(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one (PubChem CID 125461524) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one
PubChem CID125461524
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one
SMILESCc1cc2c(cc1C(=O)/C=C/N(C)C)[C@H](C)CC(C)(C)N2
InChIInChI=1S/C18H26N2O/c1-12-9-16-14(13(2)11-18(3,4)19-16)10-15(12)17(21)7-8-20(5)6/h7-10,13,19H,11H2,1-6H3/b8-7+/t13-/m1/s1
InChIKeyGPFBVQJWHQSKFI-SBDDDAINSA-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

2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-ol
CID 59639100
2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline
CID 171819555
6-methoxy-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinoline
CID 21498610
3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091
(Z)-3-(dimethylamino)-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 19616589
2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
CID 18937828
(E)-3-(dimethylamino)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
CID 12535994
(E)-3-(dimethylamino)-1-(5-fluoro-2-methylphenyl)prop-2-en-1-one;ethane
CID 123936129
(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
CID 57265971
(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 97297931
2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
CID 71367324
(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 7823786

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one (CID 125461524) is (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one is Cc1cc2c(cc1C(=O)/C=C/N(C)C)[C@H](C)CC(C)(C)N2.
What is the InChIKey of (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one?
The InChIKey is GPFBVQJWHQSKFI-SBDDDAINSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-9-16-14(13(2)11-18(3,4)19-16)10-15(12)17(21)7-8-20(5)6/h7-10,13,19H,11H2,1-6H3/b8-7+/t13-/m1/s1.
What are the key properties of (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-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 (E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one is sourced from PubChem (CID 125461524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).