7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one

C11H14ClN3O2 — CID 103388297

IUPAC7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one
SMILESCC(CN)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C11H14ClN3O2/c1-6(4-13)14-8-3-10-9(2-7(8)12)15-11(16)5-17-10/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)
InChIKeyCARNNPZMQSVLJP-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.43
Rot. Bonds3

About 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one

7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one (PubChem CID 103388297) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one
PubChem CID103388297
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one
SMILESCC(CN)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C11H14ClN3O2/c1-6(4-13)14-8-3-10-9(2-7(8)12)15-11(16)5-17-10/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)
InChIKeyCARNNPZMQSVLJP-UHFFFAOYSA-N
XLogP1.43
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-(1-aminopropan-2-ylamino)-6-chloro-4H-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

6-chloro-7-(heptan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43692838
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
2-(aminomethyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide
CID 65224903
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(2S)-2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide;hydrochloride
CID 119288721
7-(aminomethyl)-6-chloro-4H-1,4-benzoxazin-3-one
CID 82508575
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
6-chloro-7-[1-(2-methylpyrazol-3-yl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 106757234
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
6-(aminomethyl)-7-chloro-4H-1,4-benzoxazin-3-one
CID 59298732

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one (CID 103388297) is 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one is CC(CN)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one?
The InChIKey is CARNNPZMQSVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-6(4-13)14-8-3-10-9(2-7(8)12)15-11(16)5-17-10/h2-3,6,14H,4-5,13H2,1H3,(H,15,16).
What are the key properties of 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one?
7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one has a molecular weight of 255.70 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103388297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).