N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide

C20H17N3O3 — CID 57211886

IUPACN-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1nc(CCNC(=O)c2cc3ccccc3[nH]2)oc2cc(=O)ccc1-2
InChIInChI=1S/C20H17N3O3/c1-12-15-7-6-14(24)11-18(15)26-19(22-12)8-9-21-20(25)17-10-13-4-2-3-5-16(13)23-17/h2-7,10-11,23H,8-9H2,1H3,(H,21,25)
InChIKeyIIGFWDGYDHJYLA-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide

N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 57211886) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID57211886
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1nc(CCNC(=O)c2cc3ccccc3[nH]2)oc2cc(=O)ccc1-2
InChIInChI=1S/C20H17N3O3/c1-12-15-7-6-14(24)11-18(15)26-19(22-12)8-9-21-20(25)17-10-13-4-2-3-5-16(13)23-17/h2-7,10-11,23H,8-9H2,1H3,(H,21,25)
InChIKeyIIGFWDGYDHJYLA-UHFFFAOYSA-N
XLogP2.90
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-2-phenylacetamide
CID 56975205
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 103744016
N-(2-pyridin-3-ylethyl)-1H-indole-2-carboxamide
CID 46921183
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 37157221
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-(3-pyrrol-1-ylpropyl)-1H-indole-2-carboxamide
CID 90500503
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 95179151
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide (CID 57211886) is N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide is Cc1nc(CCNC(=O)c2cc3ccccc3[nH]2)oc2cc(=O)ccc1-2.
What is the InChIKey of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is IIGFWDGYDHJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-15-7-6-14(24)11-18(15)26-19(22-12)8-9-21-20(25)17-10-13-4-2-3-5-16(13)23-17/h2-7,10-11,23H,8-9H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide?
N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-7-oxo-1,3-benzoxazin-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 57211886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).