7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline

C11H10BrClN2O2 — CID 86761073

IUPAC7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCCBr
InChIInChI=1S/C11H10BrClN2O2/c1-16-9-4-7-8(14-6-15-11(7)13)5-10(9)17-3-2-12/h4-6H,2-3H2,1H3
InChIKeyCPTPGBMAKFQEGZ-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.07
Rot. Bonds4

About 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline

7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline (PubChem CID 86761073) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline.

Molecular Properties

Compound Name7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
PubChem CID86761073
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCCBr
InChIInChI=1S/C11H10BrClN2O2/c1-16-9-4-7-8(14-6-15-11(7)13)5-10(9)17-3-2-12/h4-6H,2-3H2,1H3
InChIKeyCPTPGBMAKFQEGZ-UHFFFAOYSA-N
XLogP3.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-chloro-7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride
CID 174738366
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-6-methoxy-7-(pyridin-3-ylmethoxy)quinazoline
CID 118112032
3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
CID 175087895
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline?
The IUPAC name of 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline (CID 86761073) is 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline.
What is the SMILES notation for 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline?
The canonical SMILES for 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline is COc1cc2c(Cl)ncnc2cc1OCCBr.
What is the InChIKey of 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline?
The InChIKey is CPTPGBMAKFQEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-16-9-4-7-8(14-6-15-11(7)13)5-10(9)17-3-2-12/h4-6H,2-3H2,1H3.
What are the key properties of 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline?
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline has a molecular weight of 317.57 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline is sourced from PubChem (CID 86761073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).