6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole

C18H15N3O2 — CID 10470346

IUPAC6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
SMILESCOc1ccc(-c2ncnc3[nH]c4ccc(OC)cc4c23)cc1
InChIInChI=1S/C18H15N3O2/c1-22-12-5-3-11(4-6-12)17-16-14-9-13(23-2)7-8-15(14)21-18(16)20-10-19-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyDTEOISZYGFHCIU-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.80
Rot. Bonds3

About 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole

6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole (PubChem CID 10470346) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole.

Molecular Properties

Compound Name6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
PubChem CID10470346
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
SMILESCOc1ccc(-c2ncnc3[nH]c4ccc(OC)cc4c23)cc1
InChIInChI=1S/C18H15N3O2/c1-22-12-5-3-11(4-6-12)17-16-14-9-13(23-2)7-8-15(14)21-18(16)20-10-19-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyDTEOISZYGFHCIU-UHFFFAOYSA-N
XLogP3.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-(trifluoromethyl)-9H-pyrimido[4,5-b]indole
CID 142769489
1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134134625
6-(4-methoxyphenyl)-4-pentyl-9H-pyrido[2,3-b]indole
CID 68759369
2-methoxy-6-phenyl-11H-indolo[3,2-c]quinoline
CID 122216052
7-fluoro-4-(4-methoxyphenyl)quinazoline
CID 132520825
2,4-difluoro-6-methoxy-9H-carbazole
CID 171714920
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255
7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 21216832
2-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole
CID 171776356
6-methoxy-9H-carbazol-3-ol
CID 142959347
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
1,9-dimethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 14476701

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole?
The IUPAC name of 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole (CID 10470346) is 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole.
What is the SMILES notation for 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole?
The canonical SMILES for 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole is COc1ccc(-c2ncnc3[nH]c4ccc(OC)cc4c23)cc1.
What is the InChIKey of 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole?
The InChIKey is DTEOISZYGFHCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-12-5-3-11(4-6-12)17-16-14-9-13(23-2)7-8-15(14)21-18(16)20-10-19-17/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole?
6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole has a molecular weight of 305.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(4-methoxyphenyl)-9H-pyrimido[4,5-b]indole is sourced from PubChem (CID 10470346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).