(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline

C21H27NO — CID 11809044

IUPAC(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCCCCN1c2ccc(OC)cc2[C@@H](c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H27NO/c1-4-5-13-22-16(2)14-19(17-9-7-6-8-10-17)20-15-18(23-3)11-12-21(20)22/h6-12,15-16,19H,4-5,13-14H2,1-3H3/t16-,19-/m1/s1
InChIKeyBEHSJDKCJQHJBL-VQIMIIECSA-N
MW309.45 g/mol
LogP5.23
Rot. Bonds5

About (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline

(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline (PubChem CID 11809044) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline
PubChem CID11809044
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCCCCN1c2ccc(OC)cc2[C@@H](c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H27NO/c1-4-5-13-22-16(2)14-19(17-9-7-6-8-10-17)20-15-18(23-3)11-12-21(20)22/h6-12,15-16,19H,4-5,13-14H2,1-3H3/t16-,19-/m1/s1
InChIKeyBEHSJDKCJQHJBL-VQIMIIECSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 23889651
(2S,4R)-6-methoxy-4-phenyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 23237017
5-methoxy-1,3-dipropyl-2,3-dihydroindole
CID 83960216
[4-(3-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 59987557
5-methoxy-2-phenyl-3-propyl-2,3-dihydro-1-benzofuran
CID 132967211
(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 11779857
9-butyl-3-methoxycarbazole
CID 132503458
3-butyl-2-phenyl-2H-1,3-benzothiazole
CID 162687849
1-butyl-4-phenylpyrrolidine-2,3-dione
CID 57099004
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
1-(1-butyl-6-methoxy-3,4-dihydro-2H-quinolin-4-yl)pyrrolidin-2-one
CID 11044863
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline (CID 11809044) is (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline is CCCCN1c2ccc(OC)cc2[C@@H](c2ccccc2)C[C@H]1C.
What is the InChIKey of (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The InChIKey is BEHSJDKCJQHJBL-VQIMIIECSA-N. The full InChI is InChI=1S/C21H27NO/c1-4-5-13-22-16(2)14-19(17-9-7-6-8-10-17)20-15-18(23-3)11-12-21(20)22/h6-12,15-16,19H,4-5,13-14H2,1-3H3/t16-,19-/m1/s1.
What are the key properties of (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
(2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline has a molecular weight of 309.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-butyl-6-methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 11809044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).