N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide

C18H15N3O3 — CID 59802724

IUPACN-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2N1
InChIInChI=1S/C18H15N3O3/c22-17-10-24-16-4-1-11(7-15(16)21-17)9-20-18(23)13-2-3-14-12(8-13)5-6-19-14/h1-8,19H,9-10H2,(H,20,23)(H,21,22)
InChIKeyCJUVIEVHAKJUEP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.43
Rot. Bonds3

About N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide

N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 59802724) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide
PubChem CID59802724
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2N1
InChIInChI=1S/C18H15N3O3/c22-17-10-24-16-4-1-11(7-15(16)21-17)9-20-18(23)13-2-3-14-12(8-13)5-6-19-14/h1-8,19H,9-10H2,(H,20,23)(H,21,22)
InChIKeyCJUVIEVHAKJUEP-UHFFFAOYSA-N
XLogP2.43
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
CID 59802654
N-ethyl-N-(1H-indol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119045322
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-(1H-pyrazol-5-yl)benzamide
CID 59802661
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
3-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17464422
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833

Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide (CID 59802724) is N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide is O=C1COc2ccc(CNC(=O)c3ccc4[nH]ccc4c3)cc2N1.
What is the InChIKey of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is CJUVIEVHAKJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17-10-24-16-4-1-11(7-15(16)21-17)9-20-18(23)13-2-3-14-12(8-13)5-6-19-14/h1-8,19H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide?
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 59802724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).