5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline

C27H18N4 — CID 10739636

IUPAC5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline
SMILESCn1c2c3ccccc3nc-2c(-n2c3ccccc3c3ccncc32)c2ccccc21
InChIInChI=1S/C27H18N4/c1-30-22-12-6-4-10-20(22)27(25-26(30)19-9-2-5-11-21(19)29-25)31-23-13-7-3-8-17(23)18-14-15-28-16-24(18)31/h2-16H,1H3
InChIKeyFNIFPETVAYSMHI-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.32
Rot. Bonds1

About 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline

5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline (PubChem CID 10739636) has the molecular formula C27H18N4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline.

Molecular Properties

Compound Name5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline
PubChem CID10739636
Molecular FormulaC27H18N4
Molecular Weight398.47 g/mol
Exact Mass398.15
IUPAC Name5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline
SMILESCn1c2c3ccccc3nc-2c(-n2c3ccccc3c3ccncc32)c2ccccc21
InChIInChI=1S/C27H18N4/c1-30-22-12-6-4-10-20(22)27(25-26(30)19-9-2-5-11-21(19)29-25)31-23-13-7-3-8-17(23)18-14-15-28-16-24(18)31/h2-16H,1H3
InChIKeyFNIFPETVAYSMHI-UHFFFAOYSA-N
XLogP6.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Latrepirdine
CID 197033
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Cryptolepine hydrochloride
CID 156093
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
N-3-Pyridinyl-9-acridinamine
CID 53313
Decussine
CID 156336
4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
Tacrine(8)-4-aminoquinoline
CID 656986
Eudistomin U
CID 10334023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline?
The IUPAC name of 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline (CID 10739636) is 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline.
What is the SMILES notation for 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline?
The canonical SMILES for 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline is Cn1c2c3ccccc3nc-2c(-n2c3ccccc3c3ccncc32)c2ccccc21.
What is the InChIKey of 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline?
The InChIKey is FNIFPETVAYSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4/c1-30-22-12-6-4-10-20(22)27(25-26(30)19-9-2-5-11-21(19)29-25)31-23-13-7-3-8-17(23)18-14-15-28-16-24(18)31/h2-16H,1H3.
What are the key properties of 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline?
5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline has a molecular weight of 398.47 g/mol, XLogP of 6.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline is sourced from PubChem (CID 10739636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).