(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline

C19H21NO — CID 71606353

IUPAC(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C(C)[C@H]1Cc2ccccc2N[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H21NO/c1-13(2)17-12-15-6-4-5-7-18(15)20-19(17)14-8-10-16(21-3)11-9-14/h4-11,17,19-20H,1,12H2,2-3H3/t17-,19+/m1/s1
InChIKeyHJRXZAUENZNQSN-MJGOQNOKSA-N
MW279.38 g/mol
LogP4.60
Rot. Bonds3

About (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline

(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 71606353) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID71606353
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C(C)[C@H]1Cc2ccccc2N[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H21NO/c1-13(2)17-12-15-6-4-5-7-18(15)20-19(17)14-8-10-16(21-3)11-9-14/h4-11,17,19-20H,1,12H2,2-3H3/t17-,19+/m1/s1
InChIKeyHJRXZAUENZNQSN-MJGOQNOKSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroquinoline
CID 132565219
(2R,3S)-2-(3-nitrophenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline
CID 71606514
N-[(2S,3S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinolin-3-yl]-4-methylbenzenesulfonamide
CID 102127684
(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 14156215
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 70046943
(3S,4S)-3-hydroxy-4-(4-methoxyphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 70047231
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333
(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 70994764
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
(3aR,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 101231058
(3R,4R)-4-(4-methoxyphenyl)-3-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 15612122
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline (CID 71606353) is (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline is C=C(C)[C@H]1Cc2ccccc2N[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HJRXZAUENZNQSN-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)17-12-15-6-4-5-7-18(15)20-19(17)14-8-10-16(21-3)11-9-14/h4-11,17,19-20H,1,12H2,2-3H3/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline?
(2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 279.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-methoxyphenyl)-3-prop-1-en-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 71606353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).