2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one

C32H27Br2N3O2 — CID 126297728

IUPAC2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c(OCc2ccc(Br)cc2Br)ccc2ccccc12
InChIInChI=1S/C32H27Br2N3O2/c33-24-16-14-23(28(34)18-24)20-39-30-17-15-21-8-4-5-11-25(21)27(30)19-35-37-31(22-9-2-1-3-10-22)36-29-13-7-6-12-26(29)32(37)38/h4-8,11-19,22H,1-3,9-10,20H2
InChIKeyDBUUBIVMRFSWBB-UHFFFAOYSA-N
MW645.40 g/mol
LogP8.58
Rot. Bonds6

About 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one

2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one (PubChem CID 126297728) has the molecular formula C32H27Br2N3O2 and a molecular weight of 645.40 g/mol. Its IUPAC name is 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
PubChem CID126297728
Molecular FormulaC32H27Br2N3O2
Molecular Weight645.40 g/mol
Exact Mass643.05
IUPAC Name2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c(OCc2ccc(Br)cc2Br)ccc2ccccc12
InChIInChI=1S/C32H27Br2N3O2/c33-24-16-14-23(28(34)18-24)20-39-30-17-15-21-8-4-5-11-25(21)27(30)19-35-37-31(22-9-2-1-3-10-22)36-29-13-7-6-12-26(29)32(37)38/h4-8,11-19,22H,1-3,9-10,20H2
InChIKeyDBUUBIVMRFSWBB-UHFFFAOYSA-N
XLogP8.58
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.40
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one with MolForge

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Related Compounds

6-bromo-2-cyclohexyl-3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126316899
3-[[2-(1,3-benzodioxol-5-ylmethoxy)naphthalen-1-yl]methylideneamino]-6-bromo-2-cyclohexylquinazolin-4-one
CID 126329550
2-cyclohexyl-3-[[4-[(2,4-dibromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]quinazolin-4-one
CID 126303236
2-[1-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetonitrile
CID 126303574
(2R)-2-[1-[(6-bromo-2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126340518
6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126318791
6-bromo-2-cyclohexyl-3-[[4-[(2,4-dibromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126321413
3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126307309
3-[[4-bromo-2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126280838
3-[(2-bromo-4,5-diethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306998
3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126284785
6-bromo-2-cyclohexyl-3-[[4-(naphthalen-1-ylmethoxy)-3-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126324517

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one (CID 126297728) is 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c(OCc2ccc(Br)cc2Br)ccc2ccccc12.
What is the InChIKey of 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
The InChIKey is DBUUBIVMRFSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27Br2N3O2/c33-24-16-14-23(28(34)18-24)20-39-30-17-15-21-8-4-5-11-25(21)27(30)19-35-37-31(22-9-2-1-3-10-22)36-29-13-7-6-12-26(29)32(37)38/h4-8,11-19,22H,1-3,9-10,20H2.
What are the key properties of 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one has a molecular weight of 645.40 g/mol, XLogP of 8.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[[2-[(2,4-dibromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126297728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).