(4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine

C30H28N4O4 — CID 5324316

IUPAC(4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
SMILESCOc1ccc2c3c(OC)cn4c(c-3nc2c1)CCC[C@@H]4c1ncc(OC)c2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C30H28N4O4/c1-35-16-9-11-19-20(12-16)32-28-22-6-5-7-23(34(22)15-25(38-4)27(19)28)29-30-26(24(37-3)14-31-29)18-10-8-17(36-2)13-21(18)33-30/h8-15,23,33H,5-7H2,1-4H3/t23-/m1/s1
InChIKeyZLXVSSDCCKVREE-HSZRJFAPSA-N
MW508.58 g/mol
LogP6.13
Rot. Bonds5

About (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine

(4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine (PubChem CID 5324316) has the molecular formula C30H28N4O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name(4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
PubChem CID5324316
Molecular FormulaC30H28N4O4
Molecular Weight508.58 g/mol
Exact Mass508.21
IUPAC Name(4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine
SMILESCOc1ccc2c3c(OC)cn4c(c-3nc2c1)CCC[C@@H]4c1ncc(OC)c2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C30H28N4O4/c1-35-16-9-11-19-20(12-16)32-28-22-6-5-7-23(34(22)15-25(38-4)27(19)28)29-30-26(24(37-3)14-31-29)18-10-8-17(36-2)13-21(18)33-30/h8-15,23,33H,5-7H2,1-4H3/t23-/m1/s1
InChIKeyZLXVSSDCCKVREE-HSZRJFAPSA-N
XLogP6.13
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine?
The IUPAC name of (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine (CID 5324316) is (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine?
The canonical SMILES for (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine is COc1ccc2c3c(OC)cn4c(c-3nc2c1)CCC[C@@H]4c1ncc(OC)c2c1[nH]c1cc(OC)ccc12.
What is the InChIKey of (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine?
The InChIKey is ZLXVSSDCCKVREE-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H28N4O4/c1-35-16-9-11-19-20(12-16)32-28-22-6-5-7-23(34(22)15-25(38-4)27(19)28)29-30-26(24(37-3)14-31-29)18-10-8-17(36-2)13-21(18)33-30/h8-15,23,33H,5-7H2,1-4H3/t23-/m1/s1.
What are the key properties of (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine?
(4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine has a molecular weight of 508.58 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4,7-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,10-dimethoxy-1,2,3,4-tetrahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 5324316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).