2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide

C19H17N3O3 — CID 110746348

IUPAC2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C19H17N3O3/c23-18(8-13-10-20-15-4-2-1-3-14(13)15)21-9-12-5-6-16-17(7-12)25-11-19(24)22-16/h1-7,10,20H,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyWBNMDTMGOJDXQZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.36
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide

2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide (PubChem CID 110746348) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide
PubChem CID110746348
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C19H17N3O3/c23-18(8-13-10-20-15-4-2-1-3-14(13)15)21-9-12-5-6-16-17(7-12)25-11-19(24)22-16/h1-7,10,20H,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyWBNMDTMGOJDXQZ-UHFFFAOYSA-N
XLogP2.36
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate
CID 110738535
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344961
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide
CID 55620091
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
3-cyano-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]benzamide
CID 110738504
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768453
N-(1,3-benzoxazol-6-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110794606
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluoro-1H-indol-3-yl)acetamide
CID 110851708

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide (CID 110746348) is 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide?
The InChIKey is WBNMDTMGOJDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(8-13-10-20-15-4-2-1-3-14(13)15)21-9-12-5-6-16-17(7-12)25-11-19(24)22-16/h1-7,10,20H,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide?
2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide is sourced from PubChem (CID 110746348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).