2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline

C12H10ClFN2O — CID 146493121

IUPAC2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline
SMILESC/C(=C\F)COc1ccc2nc(Cl)ncc2c1
InChIInChI=1S/C12H10ClFN2O/c1-8(5-14)7-17-10-2-3-11-9(4-10)6-15-12(13)16-11/h2-6H,7H2,1H3/b8-5+
InChIKeySMGWKZRMJAJGOC-VMPITWQZSA-N
MW252.68 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline

2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline (PubChem CID 146493121) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline.

Molecular Properties

Compound Name2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline
PubChem CID146493121
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline
SMILESC/C(=C\F)COc1ccc2nc(Cl)ncc2c1
InChIInChI=1S/C12H10ClFN2O/c1-8(5-14)7-17-10-2-3-11-9(4-10)6-15-12(13)16-11/h2-6H,7H2,1H3/b8-5+
InChIKeySMGWKZRMJAJGOC-VMPITWQZSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(E)-2-[(2-chloroquinazolin-6-yl)oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492877
CID 89070207
CID 89070207
2-chloro-7-methoxyquinazoline
CID 55251455
2-(2,4-dichloroquinazolin-6-yl)oxyacetamide
CID 59799617
3-methyl-4-naphthalen-2-yloxybut-2-enoic acid
CID 77005452
(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
CID 146492865
N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
CID 146492847
3-[(Z)-3-chloro-2-methylprop-2-enoxy]benzoic acid
CID 106436639
1-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorobenzene
CID 106440271
4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-fluoro-1-nitrobenzene
CID 106440888
[4-[(Z)-3-chloro-2-methylprop-2-enoxy]-2-methylphenyl]-trifluoroboranuide
CID 106439052
2-chloro-4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzonitrile
CID 106438469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline?
The IUPAC name of 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline (CID 146493121) is 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline.
What is the SMILES notation for 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline?
The canonical SMILES for 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline is C/C(=C\F)COc1ccc2nc(Cl)ncc2c1.
What is the InChIKey of 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline?
The InChIKey is SMGWKZRMJAJGOC-VMPITWQZSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-8(5-14)7-17-10-2-3-11-9(4-10)6-15-12(13)16-11/h2-6H,7H2,1H3/b8-5+.
What are the key properties of 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline?
2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline has a molecular weight of 252.68 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-3-fluoro-2-methylprop-2-enoxy]quinazoline is sourced from PubChem (CID 146493121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).