5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole

C19H16N2O2 — CID 135060648

IUPAC5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole
SMILESCOc1cc(OC)cc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C19H16N2O2/c1-22-14-10-13(11-15(12-14)23-2)21-17-7-4-3-6-16(17)19-18(21)8-5-9-20-19/h3-12H,1-2H3
InChIKeyKVSSNCOOLXVTID-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.20
Rot. Bonds3

About 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole

5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole (PubChem CID 135060648) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole
PubChem CID135060648
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole
SMILESCOc1cc(OC)cc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C19H16N2O2/c1-22-14-10-13(11-15(12-14)23-2)21-17-7-4-3-6-16(17)19-18(21)8-5-9-20-19/h3-12H,1-2H3
InChIKeyKVSSNCOOLXVTID-UHFFFAOYSA-N
XLogP4.20
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Harmine
CID 5280953
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
N-butylharmine
CID 486624
[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287445
4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide
CID 139520309
7-Methoxy-1,2-dimethyl-2H-pyrido(3,4-b)indole
CID 160853
N-Ethylharmine
CID 486623
9H-Pyrido[3,4-b]indole, 7-methoxy-1,9-dimethyl-
CID 486622
4,5,6-Trimethoxy-1-(1-methylindol-4-yl)indole
CID 54576096
4,5,6-Trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole
CID 54768183

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole (CID 135060648) is 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole is COc1cc(OC)cc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole?
The InChIKey is KVSSNCOOLXVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-14-10-13(11-15(12-14)23-2)21-17-7-4-3-6-16(17)19-18(21)8-5-9-20-19/h3-12H,1-2H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole?
5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole has a molecular weight of 304.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)pyrido[3,2-b]indole is sourced from PubChem (CID 135060648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).