6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline

C13H15FN2O2 — CID 164758170

IUPAC6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline
SMILESCOc1cc2ncnc(C(C)C)c2cc1OCF
InChIInChI=1S/C13H15FN2O2/c1-8(2)13-9-4-12(18-6-14)11(17-3)5-10(9)15-7-16-13/h4-5,7-8H,6H2,1-3H3
InChIKeyLQEVPOXCSSOOFV-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.07
Rot. Bonds4

About 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline

6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline (PubChem CID 164758170) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline.

Molecular Properties

Compound Name6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline
PubChem CID164758170
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline
SMILESCOc1cc2ncnc(C(C)C)c2cc1OCF
InChIInChI=1S/C13H15FN2O2/c1-8(2)13-9-4-12(18-6-14)11(17-3)5-10(9)15-7-16-13/h4-5,7-8H,6H2,1-3H3
InChIKeyLQEVPOXCSSOOFV-UHFFFAOYSA-N
XLogP3.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-4-methylquinazoline
CID 4319422
4-[1-(3-chlorophenyl)ethyl]-6,7-dimethoxyquinazoline
CID 122184999
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
6,7-dimethoxy-4-propylquinazoline
CID 4077807
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
N-[(6,7-dimethoxyquinazolin-4-yl)-(4-phenoxyphenyl)methyl]propan-2-amine
CID 146326403
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline?
The IUPAC name of 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline (CID 164758170) is 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline.
What is the SMILES notation for 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline?
The canonical SMILES for 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline is COc1cc2ncnc(C(C)C)c2cc1OCF.
What is the InChIKey of 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline?
The InChIKey is LQEVPOXCSSOOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(2)13-9-4-12(18-6-14)11(17-3)5-10(9)15-7-16-13/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline?
6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline has a molecular weight of 250.27 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 6-(fluoromethoxy)-7-methoxy-4-propan-2-ylquinazoline is sourced from PubChem (CID 164758170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).