2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide

C23H23N3O3 — CID 15996697

IUPAC2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(OC)cc2)c2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C23H23N3O3/c1-4-26-14-18(22(27)24-13-15-9-11-16(29-3)12-10-15)20-17-7-5-6-8-19(17)25(2)21(20)23(26)28/h5-12,14H,4,13H2,1-3H3,(H,24,27)
InChIKeyPSLUZIAPUKPARB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.45
Rot. Bonds5

About 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide

2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15996697) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15996697
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(OC)cc2)c2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C23H23N3O3/c1-4-26-14-18(22(27)24-13-15-9-11-16(29-3)12-10-15)20-17-7-5-6-8-19(17)25(2)21(20)23(26)28/h5-12,14H,4,13H2,1-3H3,(H,24,27)
InChIKeyPSLUZIAPUKPARB-UHFFFAOYSA-N
XLogP3.45
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856055
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15998477
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
CID 132502553
N-[2-(3,4-diethoxyphenyl)ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 22427379
2-(1,2-dimethylindol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 7087278
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15996697) is 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is CCn1cc(C(=O)NCc2ccc(OC)cc2)c2c3ccccc3n(C)c2c1=O.
What is the InChIKey of 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is PSLUZIAPUKPARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-26-14-18(22(27)24-13-15-9-11-16(29-3)12-10-15)20-17-7-5-6-8-19(17)25(2)21(20)23(26)28/h5-12,14H,4,13H2,1-3H3,(H,24,27).
What are the key properties of 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15996697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).