5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide

C20H18ClN3O3 — CID 175096540

IUPAC5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide
SMILESCCCC1NC(=O)c2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2O1
InChIInChI=1S/C20H18ClN3O3/c1-2-3-18-24-19(25)14-10-13(5-7-17(14)27-18)22-20(26)16-9-11-8-12(21)4-6-15(11)23-16/h4-10,18,23H,2-3H2,1H3,(H,22,26)(H,24,25)
InChIKeyOELJYIGFTWPHPT-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.32
Rot. Bonds4

About 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide

5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide (PubChem CID 175096540) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide
PubChem CID175096540
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide
SMILESCCCC1NC(=O)c2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2O1
InChIInChI=1S/C20H18ClN3O3/c1-2-3-18-24-19(25)14-10-13(5-7-17(14)27-18)22-20(26)16-9-11-8-12(21)4-6-15(11)23-16/h4-10,18,23H,2-3H2,1H3,(H,22,26)(H,24,25)
InChIKeyOELJYIGFTWPHPT-UHFFFAOYSA-N
XLogP4.32
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
5-chloro-N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-1H-indole-2-carboxamide
CID 169229641
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
CID 91404604
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]methyl-dimethyl-(oxolan-2-ylmethyl)azanium iodide
CID 118914152
N-(6-acetamido-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-chloro-1H-indole-2-carboxamide
CID 91582494

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide (CID 175096540) is 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide is CCCC1NC(=O)c2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2O1.
What is the InChIKey of 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide?
The InChIKey is OELJYIGFTWPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-2-3-18-24-19(25)14-10-13(5-7-17(14)27-18)22-20(26)16-9-11-8-12(21)4-6-15(11)23-16/h4-10,18,23H,2-3H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide?
5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-oxo-2-propyl-2,3-dihydro-1,3-benzoxazin-6-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 175096540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).