N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C16H18ClN3O4 — CID 47029795

IUPACN-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C16H18ClN3O4/c1-8-4-9(8)16(23)18-3-2-14(21)19-11-6-13-12(5-10(11)17)20-15(22)7-24-13/h5-6,8-9H,2-4,7H2,1H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyWBQHUEXIHIOOTF-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.77
Rot. Bonds5

About N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47029795) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47029795
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC NameN-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C16H18ClN3O4/c1-8-4-9(8)16(23)18-3-2-14(21)19-11-6-13-12(5-10(11)17)20-15(22)7-24-13/h5-6,8-9H,2-4,7H2,1H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyWBQHUEXIHIOOTF-UHFFFAOYSA-N
XLogP1.77
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
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2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 64617792
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-hexylurea
CID 47033887
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 79272383
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-piperidin-4-ylbutanamide
CID 119722257
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(2S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-2-carboxamide
CID 61179096
trans-(1R,2R)-N-[3-(5-bromo-3-chloro-2-hydroxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 97091548
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
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-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 47029795) is N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WBQHUEXIHIOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-8-4-9(8)16(23)18-3-2-14(21)19-11-6-13-12(5-10(11)17)20-15(22)7-24-13/h5-6,8-9H,2-4,7H2,1H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47029795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).