N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide

C20H18ClN3O3 — CID 55620091

IUPACN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C20H18ClN3O3/c21-14-8-17-18(27-11-20(26)24-17)9-16(14)23-19(25)7-3-4-12-10-22-15-6-2-1-5-13(12)15/h1-2,5-6,8-10,22H,3-4,7,11H2,(H,23,25)(H,24,26)
InChIKeyYEJMTFNUGVCLKT-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.11
Rot. Bonds5

About N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide (PubChem CID 55620091) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide
PubChem CID55620091
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C20H18ClN3O3/c21-14-8-17-18(27-11-20(26)24-17)9-16(14)23-19(25)7-3-4-12-10-22-15-6-2-1-5-13(12)15/h1-2,5-6,8-10,22H,3-4,7,11H2,(H,23,25)(H,24,26)
InChIKeyYEJMTFNUGVCLKT-UHFFFAOYSA-N
XLogP4.11
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide with MolForge

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
2-(1H-indol-3-yl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]acetamide
CID 110746348
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344961
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 64617792
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47029795
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
CID 20968974
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55760950

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide (CID 55620091) is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is YEJMTFNUGVCLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-14-8-17-18(27-11-20(26)24-17)9-16(14)23-19(25)7-3-4-12-10-22-15-6-2-1-5-13(12)15/h1-2,5-6,8-10,22H,3-4,7,11H2,(H,23,25)(H,24,26).
What are the key properties of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide?
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 383.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 55620091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).