N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride

C14H20ClN3O3 — CID 120655100

IUPACN-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)NC(=O)CO2.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-3-15-9(2)7-16-14(19)10-4-5-12-11(6-10)17-13(18)8-20-12;/h4-6,9,15H,3,7-8H2,1-2H3,(H,16,19)(H,17,18);1H/t9-;/m1./s1
InChIKeyWDADQBSKTHRFHP-SBSPUUFOSA-N
MW313.79 g/mol
LogP1.17
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride (PubChem CID 120655100) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
PubChem CID120655100
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)NC(=O)CO2.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-3-15-9(2)7-16-14(19)10-4-5-12-11(6-10)17-13(18)8-20-12;/h4-6,9,15H,3,7-8H2,1-2H3,(H,16,19)(H,17,18);1H/t9-;/m1./s1
InChIKeyWDADQBSKTHRFHP-SBSPUUFOSA-N
XLogP1.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride 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

N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216
N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 120651895
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-(2-amino-2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119639796
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]acetate
CID 60811784
N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 103861469
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
N-(1-hydroxy-3-methylbutan-2-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 79252140
N-[3-(2-methylpropoxy)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86907913
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53362046
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120888271

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride (CID 120655100) is N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc2c(c1)NC(=O)CO2.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
The InChIKey is WDADQBSKTHRFHP-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-3-15-9(2)7-16-14(19)10-4-5-12-11(6-10)17-13(18)8-20-12;/h4-6,9,15H,3,7-8H2,1-2H3,(H,16,19)(H,17,18);1H/t9-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 120655100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).