(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline

C14H21NO — CID 10632686

IUPAC(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline
SMILESCCC[C@@H]1CN(C)c2ccccc2[C@H]1OC
InChIInChI=1S/C14H21NO/c1-4-7-11-10-15(2)13-9-6-5-8-12(13)14(11)16-3/h5-6,8-9,11,14H,4,7,10H2,1-3H3/t11-,14+/m1/s1
InChIKeyVKNOTSOPSPHQBI-RISCZKNCSA-N
MW219.33 g/mol
LogP3.24
Rot. Bonds3

About (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline

(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline (PubChem CID 10632686) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline
PubChem CID10632686
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline
SMILESCCC[C@@H]1CN(C)c2ccccc2[C@H]1OC
InChIInChI=1S/C14H21NO/c1-4-7-11-10-15(2)13-9-6-5-8-12(13)14(11)16-3/h5-6,8-9,11,14H,4,7,10H2,1-3H3/t11-,14+/m1/s1
InChIKeyVKNOTSOPSPHQBI-RISCZKNCSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline (CID 10632686) is (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline is CCC[C@@H]1CN(C)c2ccccc2[C@H]1OC.
What is the InChIKey of (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline?
The InChIKey is VKNOTSOPSPHQBI-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-11-10-15(2)13-9-6-5-8-12(13)14(11)16-3/h5-6,8-9,11,14H,4,7,10H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline?
(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline has a molecular weight of 219.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 10632686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).