6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one

C26H29N3O4 — CID 10895601

IUPAC6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
SMILESCOc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1
InChIInChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3
InChIKeyYUASKJNKSPZTCR-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.35
Rot. Bonds7

About 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one

6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one (PubChem CID 10895601) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
PubChem CID10895601
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
SMILESCOc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1
InChIInChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3
InChIKeyYUASKJNKSPZTCR-UHFFFAOYSA-N
XLogP3.35
TPSA57.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The IUPAC name of 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one (CID 10895601) is 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The canonical SMILES for 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one is COc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1.
What is the InChIKey of 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The InChIKey is YUASKJNKSPZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3.
What are the key properties of 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one has a molecular weight of 447.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(2-methoxyphenyl)methyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 10895601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).