N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C20H19N3O3 — CID 110683064

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2NC1=O
InChIInChI=1S/C20H19N3O3/c1-12-19(24)23-17-10-13(6-7-18(17)26-12)20(25)21-9-8-14-11-22-16-5-3-2-4-15(14)16/h2-7,10-12,22H,8-9H2,1H3,(H,21,25)(H,23,24)
InChIKeyKGTSFUOZPMRMBF-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110683064) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110683064
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2NC1=O
InChIInChI=1S/C20H19N3O3/c1-12-19(24)23-17-10-13(6-7-18(17)26-12)20(25)21-9-8-14-11-22-16-5-3-2-4-15(14)16/h2-7,10-12,22H,8-9H2,1H3,(H,21,25)(H,23,24)
InChIKeyKGTSFUOZPMRMBF-UHFFFAOYSA-N
XLogP2.86
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8834116
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8834121
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766514
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
3-methyl-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790041
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 110683064) is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CC1Oc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2NC1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is KGTSFUOZPMRMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-19(24)23-17-10-13(6-7-18(17)26-12)20(25)21-9-8-14-11-22-16-5-3-2-4-15(14)16/h2-7,10-12,22H,8-9H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110683064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).