(6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

C32H32N2O2 — CID 129360525

IUPAC(6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILESCOc1cc2c3c(c1O)-c1cc(N(Cc4ccccc4)Cc4ccccc4)ccc1C[C@H]3N(C)CC2
InChIInChI=1S/C32H32N2O2/c1-33-16-15-25-18-29(36-2)32(35)31-27-19-26(14-13-24(27)17-28(33)30(25)31)34(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-14,18-19,28,35H,15-17,20-21H2,1-2H3/t28-/m1/s1
InChIKeyRILSEMQQYBRWTN-MUUNZHRXSA-N
MW476.62 g/mol
LogP6.36
Rot. Bonds6

About (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

(6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (PubChem CID 129360525) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.

Molecular Properties

Compound Name(6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
PubChem CID129360525
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name(6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILESCOc1cc2c3c(c1O)-c1cc(N(Cc4ccccc4)Cc4ccccc4)ccc1C[C@H]3N(C)CC2
InChIInChI=1S/C32H32N2O2/c1-33-16-15-25-18-29(36-2)32(35)31-27-19-26(14-13-24(27)17-28(33)30(25)31)34(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-14,18-19,28,35H,15-17,20-21H2,1-2H3/t28-/m1/s1
InChIKeyRILSEMQQYBRWTN-MUUNZHRXSA-N
XLogP6.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The IUPAC name of (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (CID 129360525) is (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
What is the SMILES notation for (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The canonical SMILES for (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is COc1cc2c3c(c1O)-c1cc(N(Cc4ccccc4)Cc4ccccc4)ccc1C[C@H]3N(C)CC2.
What is the InChIKey of (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The InChIKey is RILSEMQQYBRWTN-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-33-16-15-25-18-29(36-2)32(35)31-27-19-26(14-13-24(27)17-28(33)30(25)31)34(20-22-9-5-3-6-10-22)21-23-11-7-4-8-12-23/h3-14,18-19,28,35H,15-17,20-21H2,1-2H3/t28-/m1/s1.
What are the key properties of (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
(6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol has a molecular weight of 476.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10-(dibenzylamino)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is sourced from PubChem (CID 129360525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).