N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide

C22H21N3O3 — CID 4975348

IUPACN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(CCNC(=O)c3cc4ccccc4c(=O)n3C)c[nH]c2c1
InChIInChI=1S/C22H21N3O3/c1-25-20(11-14-5-3-4-6-18(14)22(25)27)21(26)23-10-9-15-13-24-19-12-16(28-2)7-8-17(15)19/h3-8,11-13,24H,9-10H2,1-2H3,(H,23,26)
InChIKeyWPAOUTNHYSAEDP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 4975348) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID4975348
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(CCNC(=O)c3cc4ccccc4c(=O)n3C)c[nH]c2c1
InChIInChI=1S/C22H21N3O3/c1-25-20(11-14-5-3-4-6-18(14)22(25)27)21(26)23-10-9-15-13-24-19-12-16(28-2)7-8-17(15)19/h3-8,11-13,24H,9-10H2,1-2H3,(H,23,26)
InChIKeyWPAOUTNHYSAEDP-UHFFFAOYSA-N
XLogP3.00
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 8003951
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24663733
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 23610505
5-(benzylsulfanylmethyl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4900829
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29147475
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide (CID 4975348) is N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide is COc1ccc2c(CCNC(=O)c3cc4ccccc4c(=O)n3C)c[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is WPAOUTNHYSAEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25-20(11-14-5-3-4-6-18(14)22(25)27)21(26)23-10-9-15-13-24-19-12-16(28-2)7-8-17(15)19/h3-8,11-13,24H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide?
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 4975348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).