(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline

C19H21NO2 — CID 11254917

IUPAC(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline
SMILESCOc1ccc2c(c1)C(C)(C)[C@@H]1COc3ccccc3[C@@H]1N2
InChIInChI=1S/C19H21NO2/c1-19(2)14-10-12(21-3)8-9-16(14)20-18-13-6-4-5-7-17(13)22-11-15(18)19/h4-10,15,18,20H,11H2,1-3H3/t15-,18+/m1/s1
InChIKeyHYGVVSYIDDWCNA-QAPCUYQASA-N
MW295.38 g/mol
LogP4.15
Rot. Bonds1

About (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline

(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline (PubChem CID 11254917) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline.

Molecular Properties

Compound Name(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline
PubChem CID11254917
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline
SMILESCOc1ccc2c(c1)C(C)(C)[C@@H]1COc3ccccc3[C@@H]1N2
InChIInChI=1S/C19H21NO2/c1-19(2)14-10-12(21-3)8-9-16(14)20-18-13-6-4-5-7-17(13)22-11-15(18)19/h4-10,15,18,20H,11H2,1-3H3/t15-,18+/m1/s1
InChIKeyHYGVVSYIDDWCNA-QAPCUYQASA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline?
The IUPAC name of (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline (CID 11254917) is (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline.
What is the SMILES notation for (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline?
The canonical SMILES for (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline is COc1ccc2c(c1)C(C)(C)[C@@H]1COc3ccccc3[C@@H]1N2.
What is the InChIKey of (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline?
The InChIKey is HYGVVSYIDDWCNA-QAPCUYQASA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)14-10-12(21-3)8-9-16(14)20-18-13-6-4-5-7-17(13)22-11-15(18)19/h4-10,15,18,20H,11H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline?
(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline has a molecular weight of 295.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline is sourced from PubChem (CID 11254917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).