3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one

C19H18N2O3 — CID 58028087

IUPAC3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
SMILESCOc1ccc(-c2cnc3[nH]c4c(c3c2)C(=O)CCC4)cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-16-7-6-11(9-17(16)24-2)12-8-13-18-14(4-3-5-15(18)22)21-19(13)20-10-12/h6-10H,3-5H2,1-2H3,(H,20,21)
InChIKeyYWPSMCWLLZWUQR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.77
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one

3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one (PubChem CID 58028087) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
PubChem CID58028087
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
SMILESCOc1ccc(-c2cnc3[nH]c4c(c3c2)C(=O)CCC4)cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-16-7-6-11(9-17(16)24-2)12-8-13-18-14(4-3-5-15(18)22)21-19(13)20-10-12/h6-10H,3-5H2,1-2H3,(H,20,21)
InChIKeyYWPSMCWLLZWUQR-UHFFFAOYSA-N
XLogP3.77
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-3-hydroxy-1,5,6,7-tetrahydroindol-4-one
CID 5311531
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171949
5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029981
10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
CID 19688731
4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 46234350
6-(4-methoxy-3-methylphenyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 163362345
1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110171948
2-(3,4-dimethoxyphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477397
N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602778

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one (CID 58028087) is 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one is COc1ccc(-c2cnc3[nH]c4c(c3c2)C(=O)CCC4)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
The InChIKey is YWPSMCWLLZWUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-16-7-6-11(9-17(16)24-2)12-8-13-18-14(4-3-5-15(18)22)21-19(13)20-10-12/h6-10H,3-5H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one has a molecular weight of 322.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one is sourced from PubChem (CID 58028087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).