(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol

C11H16N2O — CID 124510547

IUPAC(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cccc2c1N(C)C[C@H](N)[C@@H]2O
InChIInChI=1S/C11H16N2O/c1-7-4-3-5-8-10(7)13(2)6-9(12)11(8)14/h3-5,9,11,14H,6,12H2,1-2H3/t9-,11+/m0/s1
InChIKeyVXDMQMUDOSCPPO-GXSJLCMTSA-N
MW192.26 g/mol
LogP0.81
Rot. Bonds

About (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol

(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 124510547) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID124510547
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cccc2c1N(C)C[C@H](N)[C@@H]2O
InChIInChI=1S/C11H16N2O/c1-7-4-3-5-8-10(7)13(2)6-9(12)11(8)14/h3-5,9,11,14H,6,12H2,1-2H3/t9-,11+/m0/s1
InChIKeyVXDMQMUDOSCPPO-GXSJLCMTSA-N
XLogP0.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol (CID 124510547) is (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol is Cc1cccc2c1N(C)C[C@H](N)[C@@H]2O.
What is the InChIKey of (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is VXDMQMUDOSCPPO-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-4-3-5-8-10(7)13(2)6-9(12)11(8)14/h3-5,9,11,14H,6,12H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol?
(3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 192.26 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 124510547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).