4-chloro-8-methyl-5H-pyrimido[5,4-b]indole

C11H8ClN3 — CID 5399946

IUPAC4-chloro-8-methyl-5H-pyrimido[5,4-b]indole
SMILESCc1ccc2[nH]c3c(Cl)ncnc3c2c1
InChIInChI=1S/C11H8ClN3/c1-6-2-3-8-7(4-6)9-10(15-8)11(12)14-5-13-9/h2-5,15H,1H3
InChIKeyLNQODADCKCYIRF-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.07
Rot. Bonds

About 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole

4-chloro-8-methyl-5H-pyrimido[5,4-b]indole (PubChem CID 5399946) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name4-chloro-8-methyl-5H-pyrimido[5,4-b]indole
PubChem CID5399946
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name4-chloro-8-methyl-5H-pyrimido[5,4-b]indole
SMILESCc1ccc2[nH]c3c(Cl)ncnc3c2c1
InChIInChI=1S/C11H8ClN3/c1-6-2-3-8-7(4-6)9-10(15-8)11(12)14-5-13-9/h2-5,15H,1H3
InChIKeyLNQODADCKCYIRF-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
N-benzyl-5H-pyrimido[5,4-b]indol-4-amine
CID 814517
N-[(1R)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5328387
N-[(1S)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5328388
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Aloisine B
CID 6538793
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
6-[1-(4-chlorophenyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine
CID 6538807
2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
4-(9H-Pyrido(3,4-b)indol-1-yl)-2-pyrimidinamine
CID 5257090
6-(3-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10522705
6-(4-chlorophenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10618696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole?
The IUPAC name of 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole (CID 5399946) is 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole is Cc1ccc2[nH]c3c(Cl)ncnc3c2c1.
What is the InChIKey of 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole?
The InChIKey is LNQODADCKCYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c1-6-2-3-8-7(4-6)9-10(15-8)11(12)14-5-13-9/h2-5,15H,1H3.
What are the key properties of 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole?
4-chloro-8-methyl-5H-pyrimido[5,4-b]indole has a molecular weight of 217.66 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 5399946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).