(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline

C22H27NO2 — CID 69202574

IUPAC(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
SMILESCCCN1c2ccccc2C(C)(C)[C@H]2COc3cccc(OC)c3[C@H]21
InChIInChI=1S/C22H27NO2/c1-5-13-23-17-10-7-6-9-15(17)22(2,3)16-14-25-19-12-8-11-18(24-4)20(19)21(16)23/h6-12,16,21H,5,13-14H2,1-4H3/t16-,21-/m0/s1
InChIKeyWSVAVNMIBBSYHX-KKSFZXQISA-N
MW337.46 g/mol
LogP4.95
Rot. Bonds3

About (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline

(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline (PubChem CID 69202574) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline.

Molecular Properties

Compound Name(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
PubChem CID69202574
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
SMILESCCCN1c2ccccc2C(C)(C)[C@H]2COc3cccc(OC)c3[C@H]21
InChIInChI=1S/C22H27NO2/c1-5-13-23-17-10-7-6-9-15(17)22(2,3)16-14-25-19-12-8-11-18(24-4)20(19)21(16)23/h6-12,16,21H,5,13-14H2,1-4H3/t16-,21-/m0/s1
InChIKeyWSVAVNMIBBSYHX-KKSFZXQISA-N
XLogP4.95
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
The IUPAC name of (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline (CID 69202574) is (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline.
What is the SMILES notation for (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
The canonical SMILES for (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline is CCCN1c2ccccc2C(C)(C)[C@H]2COc3cccc(OC)c3[C@H]21.
What is the InChIKey of (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
The InChIKey is WSVAVNMIBBSYHX-KKSFZXQISA-N. The full InChI is InChI=1S/C22H27NO2/c1-5-13-23-17-10-7-6-9-15(17)22(2,3)16-14-25-19-12-8-11-18(24-4)20(19)21(16)23/h6-12,16,21H,5,13-14H2,1-4H3/t16-,21-/m0/s1.
What are the key properties of (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
(6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline has a molecular weight of 337.46 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12aS)-1-methoxy-7,7-dimethyl-12-propyl-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline is sourced from PubChem (CID 69202574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).