6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane

C32H28BrClN2O2 — CID 59805724

IUPAC6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccc(Cl)cc1)C1(c2cccc3ccccc23)CCN(C)CO1
InChIInChI=1S/C32H28BrClN2O2/c1-36-17-16-32(38-20-36,28-9-5-7-21-6-3-4-8-26(21)28)30(22-10-13-25(34)14-11-22)27-19-23-18-24(33)12-15-29(23)35-31(27)37-2/h3-15,18-19,30H,16-17,20H2,1-2H3
InChIKeyIEKQBUJCZMYIJV-UHFFFAOYSA-N
MW587.95 g/mol
LogP8.15
Rot. Bonds5

About 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane

6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane (PubChem CID 59805724) has the molecular formula C32H28BrClN2O2 and a molecular weight of 587.95 g/mol. Its IUPAC name is 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane.

Molecular Properties

Compound Name6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
PubChem CID59805724
Molecular FormulaC32H28BrClN2O2
Molecular Weight587.95 g/mol
Exact Mass586.10
IUPAC Name6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccc(Cl)cc1)C1(c2cccc3ccccc23)CCN(C)CO1
InChIInChI=1S/C32H28BrClN2O2/c1-36-17-16-32(38-20-36,28-9-5-7-21-6-3-4-8-26(21)28)30(22-10-13-25(34)14-11-22)27-19-23-18-24(33)12-15-29(23)35-31(27)37-2/h3-15,18-19,30H,16-17,20H2,1-2H3
InChIKeyIEKQBUJCZMYIJV-UHFFFAOYSA-N
XLogP8.15
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.95
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane 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

(6S)-6-[(R)-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-phenylmethyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane
CID 58853314
4-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-2-[(2,4-difluorophenyl)methyl]piperidin-4-ol;methane
CID 157401844
(1S)-N-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-naphthalen-1-ylethanamine
CID 139236694
(3R,4R)-4-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-[(dimethylamino)methyl]-2,3-dihydrochromen-4-ol
CID 139186270
(1S,2R)-7-bromo-1-[(R)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 127026044
1-(6-bromo-2-methoxyquinolin-3-yl)-1-(3,4-dichlorophenyl)-2-phenyl-6-piperidin-1-ylhexan-2-ol
CID 15947496
(2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 138110294
[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutyl]-trimethylazanium
CID 15941001
N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 141302852
N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide
CID 72548025
1-(6-bromo-2-methoxyquinolin-3-yl)-4-[ethyl(dimethyl)azaniumyl]-2-naphthalen-1-yl-1-phenylbutan-2-olate;hydroiodide
CID 15940999
3-[(1-benzyl-4-hydroxypiperidin-4-yl)-(4-chlorophenyl)methyl]-2-methoxyquinoline-6-carbonitrile;1-hydroperoxyperoxybut-2-yne
CID 158079589

Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
The IUPAC name of 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane (CID 59805724) is 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane.
What is the SMILES notation for 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
The canonical SMILES for 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane is COc1nc2ccc(Br)cc2cc1C(c1ccc(Cl)cc1)C1(c2cccc3ccccc23)CCN(C)CO1.
What is the InChIKey of 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
The InChIKey is IEKQBUJCZMYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28BrClN2O2/c1-36-17-16-32(38-20-36,28-9-5-7-21-6-3-4-8-26(21)28)30(22-10-13-25(34)14-11-22)27-19-23-18-24(33)12-15-29(23)35-31(27)37-2/h3-15,18-19,30H,16-17,20H2,1-2H3.
What are the key properties of 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane?
6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane has a molecular weight of 587.95 g/mol, XLogP of 8.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromo-2-methoxyquinolin-3-yl)-(4-chlorophenyl)methyl]-3-methyl-6-naphthalen-1-yl-1,3-oxazinane is sourced from PubChem (CID 59805724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).