5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol

C23H24BrFN2O4 — CID 86292492

IUPAC5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol
SMILESCOc1cc2c(-c3ccc(Br)cc3F)ncnc2cc1OCC1CCC(OC)C(O)C1
InChIInChI=1S/C23H24BrFN2O4/c1-29-20-6-3-13(7-19(20)28)11-31-22-10-18-16(9-21(22)30-2)23(27-12-26-18)15-5-4-14(24)8-17(15)25/h4-5,8-10,12-13,19-20,28H,3,6-7,11H2,1-2H3
InChIKeyQUDMAJYNACXVAY-UHFFFAOYSA-N
MW491.36 g/mol
LogP4.76
Rot. Bonds6

About 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol

5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol (PubChem CID 86292492) has the molecular formula C23H24BrFN2O4 and a molecular weight of 491.36 g/mol. Its IUPAC name is 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol
PubChem CID86292492
Molecular FormulaC23H24BrFN2O4
Molecular Weight491.36 g/mol
Exact Mass490.09
IUPAC Name5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol
SMILESCOc1cc2c(-c3ccc(Br)cc3F)ncnc2cc1OCC1CCC(OC)C(O)C1
InChIInChI=1S/C23H24BrFN2O4/c1-29-20-6-3-13(7-19(20)28)11-31-22-10-18-16(9-21(22)30-2)23(27-12-26-18)15-5-4-14(24)8-17(15)25/h4-5,8-10,12-13,19-20,28H,3,6-7,11H2,1-2H3
InChIKeyQUDMAJYNACXVAY-UHFFFAOYSA-N
XLogP4.76
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol with MolForge

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Related Compounds

4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68530871
N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide
CID 90114720
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 158046171
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-dihydroxymethyl]piperidin-1-yl]methanetriol
CID 91054540
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[[1-methyl-1-[(3-methyl-5-nitroimidazol-4-yl)methyl]piperidin-1-ium-4-yl]methoxy]quinazolin-4-amine
CID 46938082
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-bromo-5-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 10347091
7-bromo-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline
CID 86687452

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol?
The IUPAC name of 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol (CID 86292492) is 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol?
The canonical SMILES for 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol is COc1cc2c(-c3ccc(Br)cc3F)ncnc2cc1OCC1CCC(OC)C(O)C1.
What is the InChIKey of 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol?
The InChIKey is QUDMAJYNACXVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrFN2O4/c1-29-20-6-3-13(7-19(20)28)11-31-22-10-18-16(9-21(22)30-2)23(27-12-26-18)15-5-4-14(24)8-17(15)25/h4-5,8-10,12-13,19-20,28H,3,6-7,11H2,1-2H3.
What are the key properties of 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol?
5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol has a molecular weight of 491.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 86292492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).