(3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol

C15H22ClNO — CID 155937260

IUPAC(3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol
SMILESCCC[C@@H]1c2cc(Cl)ccc2N(C(C)C)C[C@H]1O
InChIInChI=1S/C15H22ClNO/c1-4-5-12-13-8-11(16)6-7-14(13)17(10(2)3)9-15(12)18/h6-8,10,12,15,18H,4-5,9H2,1-3H3/t12-,15-/m1/s1
InChIKeyMTHHCOLRXCZVBM-IUODEOHRSA-N
MW267.80 g/mol
LogP3.81
Rot. Bonds3

About (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol

(3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol (PubChem CID 155937260) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol.

Molecular Properties

Compound Name(3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol
PubChem CID155937260
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol
SMILESCCC[C@@H]1c2cc(Cl)ccc2N(C(C)C)C[C@H]1O
InChIInChI=1S/C15H22ClNO/c1-4-5-12-13-8-11(16)6-7-14(13)17(10(2)3)9-15(12)18/h6-8,10,12,15,18H,4-5,9H2,1-3H3/t12-,15-/m1/s1
InChIKeyMTHHCOLRXCZVBM-IUODEOHRSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol?
The IUPAC name of (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol (CID 155937260) is (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol.
What is the SMILES notation for (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol?
The canonical SMILES for (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol is CCC[C@@H]1c2cc(Cl)ccc2N(C(C)C)C[C@H]1O.
What is the InChIKey of (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol?
The InChIKey is MTHHCOLRXCZVBM-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-5-12-13-8-11(16)6-7-14(13)17(10(2)3)9-15(12)18/h6-8,10,12,15,18H,4-5,9H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol?
(3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol has a molecular weight of 267.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-chloro-1-propan-2-yl-4-propyl-3,4-dihydro-2H-quinolin-3-ol is sourced from PubChem (CID 155937260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).