4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine

C23H24ClN3O2 — CID 50940333

IUPAC4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESCc1nc2ccc(Cl)cc2c(N2CCOc3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C23H24ClN3O2/c1-15-16(2)25-20-5-3-17(24)13-19(20)23(15)27-9-12-29-22-6-4-18(14-21(22)27)26-7-10-28-11-8-26/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHNLPATRYNHANCZ-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.87
Rot. Bonds2

About 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine

4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 50940333) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID50940333
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine
SMILESCc1nc2ccc(Cl)cc2c(N2CCOc3ccc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C23H24ClN3O2/c1-15-16(2)25-20-5-3-17(24)13-19(20)23(15)27-9-12-29-22-6-4-18(14-21(22)27)26-7-10-28-11-8-26/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHNLPATRYNHANCZ-UHFFFAOYSA-N
XLogP4.87
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine with MolForge

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Launch Full Analysis

Related Compounds

6-[2-[4-(7-chloro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10071738
6-[2-[4-(8-chloro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10478217
Cellulose, carboxymethyl ether, calcium salt
CID 9421
N-[(3-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
CID 25003430
Cambridge id 6788307
CID 2790572
6-chloro-2-methoxy-N-(3-morpholin-4-ylphenyl)acridin-9-amine
CID 44560967
6-chloro-2-methoxy-N-(4-morpholin-4-ylphenyl)acridin-9-amine
CID 44560968
2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine
CID 71449705
2-(5-Chloro-2-pyridinyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline
CID 73351884
6-Chloro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinoline-3-carbonitrile
CID 137646585
1-N-(2-chloroquinolin-4-yl)-4-methoxy-1-N-methylbenzene-1,3-diamine
CID 145952027
6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]quinolin-4-amine
CID 162664031

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine (CID 50940333) is 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine is Cc1nc2ccc(Cl)cc2c(N2CCOc3ccc(N4CCOCC4)cc32)c1C.
What is the InChIKey of 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is HNLPATRYNHANCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-15-16(2)25-20-5-3-17(24)13-19(20)23(15)27-9-12-29-22-6-4-18(14-21(22)27)26-7-10-28-11-8-26/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine?
4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 409.92 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dimethylquinolin-4-yl)-6-morpholin-4-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 50940333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).