4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline

C12H11ClF2N2 — CID 114590631

IUPAC4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
SMILESCC(C)c1ccc2nc(C(F)F)nc(Cl)c2c1
InChIInChI=1S/C12H11ClF2N2/c1-6(2)7-3-4-9-8(5-7)10(13)17-12(16-9)11(14)15/h3-6,11H,1-2H3
InChIKeyQOKKJBWEFPBKBT-UHFFFAOYSA-N
MW256.68 g/mol
LogP4.34
Rot. Bonds2

About 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline

4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline (PubChem CID 114590631) has the molecular formula C12H11ClF2N2 and a molecular weight of 256.68 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
PubChem CID114590631
Molecular FormulaC12H11ClF2N2
Molecular Weight256.68 g/mol
Exact Mass256.06
IUPAC Name4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
SMILESCC(C)c1ccc2nc(C(F)F)nc(Cl)c2c1
InChIInChI=1S/C12H11ClF2N2/c1-6(2)7-3-4-9-8(5-7)10(13)17-12(16-9)11(14)15/h3-6,11H,1-2H3
InChIKeyQOKKJBWEFPBKBT-UHFFFAOYSA-N
XLogP4.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-phenyl-6-propan-2-ylquinazoline
CID 114590616
4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
CID 63497668
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
3,4-dichloro-6-propan-2-ylquinoline
CID 114759774
3-chloro-5-propan-2-yl-2H-indazole
CID 89476289
2,8-di(propan-2-yl)phenazine
CID 70800003
6-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 62203089
7-bromo-4-chloro-2-propan-2-ylquinazoline
CID 53404537
N,4-dimethyl-6-propan-2-ylquinolin-2-amine
CID 84621948
3-chloro-6-propan-2-yl-1,2,4-benzotriazine
CID 91214432
4,6-dichloro-2-(difluoromethyl)-5-methylpyrimidine
CID 89394919
2-tert-butyl-3-chloro-6-propan-2-ylquinoxaline
CID 147188086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline (CID 114590631) is 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline is CC(C)c1ccc2nc(C(F)F)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline?
The InChIKey is QOKKJBWEFPBKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2/c1-6(2)7-3-4-9-8(5-7)10(13)17-12(16-9)11(14)15/h3-6,11H,1-2H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline?
4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline has a molecular weight of 256.68 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline is sourced from PubChem (CID 114590631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).