N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine

C19H18ClN3O — CID 71453899

IUPACN-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine
SMILESCCN1COc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1
InChIInChI=1S/C19H18ClN3O/c1-2-23-11-13-3-5-15(10-19(13)24-12-23)22-17-7-8-21-18-9-14(20)4-6-16(17)18/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyXKYREHPNCLCHSW-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.80
Rot. Bonds3

About N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine

N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine (PubChem CID 71453899) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine
PubChem CID71453899
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine
SMILESCCN1COc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1
InChIInChI=1S/C19H18ClN3O/c1-2-23-11-13-3-5-15(10-19(13)24-12-23)22-17-7-8-21-18-9-14(20)4-6-16(17)18/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKeyXKYREHPNCLCHSW-UHFFFAOYSA-N
XLogP4.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine 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

5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
CID 2166
Gsk-369796
CID 10316203
7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
4-Chloro-7-methoxyquinoline
CID 10607829
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
4-[(3-Chloro-4-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328861
4-[(2,4-Dichlorophenyl)amino]-7-methoxyquinoline-3-carbonitrile
CID 5328896
Desethyl isoquine
CID 11450263
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}-6-(pyridin-4-yl)quinoline
CID 24953027
7-Chloro-3-(3,5-dimethylphenyl)-6-(6-methoxypyridin-3-yl)-4-{2-[(2r)-piperidin-2-yl]ethoxy}quinoline
CID 52936723

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine (CID 71453899) is N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine is CCN1COc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine?
The InChIKey is XKYREHPNCLCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-23-11-13-3-5-15(10-19(13)24-12-23)22-17-7-8-21-18-9-14(20)4-6-16(17)18/h3-10H,2,11-12H2,1H3,(H,21,22).
What are the key properties of N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine?
N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine has a molecular weight of 339.83 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-3-ethyl-2,4-dihydro-1,3-benzoxazin-7-amine is sourced from PubChem (CID 71453899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).