4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one

C14H19ClN2O2 — CID 82143010

IUPAC4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2ccc(Cl)cc2N(C(C)CN)C1=O
InChIInChI=1S/C14H19ClN2O2/c1-8(2)13-14(18)17(9(3)7-16)11-6-10(15)4-5-12(11)19-13/h4-6,8-9,13H,7,16H2,1-3H3
InChIKeyFBWSYIQNIODYIB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.44
Rot. Bonds3

About 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one

4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 82143010) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID82143010
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCC(C)C1Oc2ccc(Cl)cc2N(C(C)CN)C1=O
InChIInChI=1S/C14H19ClN2O2/c1-8(2)13-14(18)17(9(3)7-16)11-6-10(15)4-5-12(11)19-13/h4-6,8-9,13H,7,16H2,1-3H3
InChIKeyFBWSYIQNIODYIB-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-aminopropan-2-yl)-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 82143012
2-(6-chloro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid
CID 82142631
6-amino-4-(1-aminopropan-2-yl)-2-methyl-1,4-benzoxazin-3-one
CID 117039853
6-(4-aminobutyl)-2,4-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82339815
4-(2-aminoethyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142319
4-(1-aminopropan-2-yl)-6-fluoro-2-phenyl-1,4-benzoxazin-3-one
CID 82143059
4-(4-aminobutyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142447
7-chloro-4-(2-methylsulfanylethyl)-2-propan-2-yl-5H-1,4-benzoxazepin-3-one
CID 141101702
6-propanoyl-2,4-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82022132
4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82143210
2-(6-amino-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 82022094
6-chloro-4-[(4-chlorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 23411018

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one (CID 82143010) is 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one is CC(C)C1Oc2ccc(Cl)cc2N(C(C)CN)C1=O.
What is the InChIKey of 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is FBWSYIQNIODYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-8(2)13-14(18)17(9(3)7-16)11-6-10(15)4-5-12(11)19-13/h4-6,8-9,13H,7,16H2,1-3H3.
What are the key properties of 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one?
4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 282.77 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82143010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).