4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline

C17H14ClFN2 — CID 63497668

IUPAC4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
SMILESCC(C)c1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1
InChIInChI=1S/C17H14ClFN2/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(19)9-14(15)16(18)21-17/h3-10H,1-2H3
InChIKeyLSSAXZQYVMDNNY-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.21
Rot. Bonds2

About 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline

4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline (PubChem CID 63497668) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
PubChem CID63497668
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
SMILESCC(C)c1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1
InChIInChI=1S/C17H14ClFN2/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(19)9-14(15)16(18)21-17/h3-10H,1-2H3
InChIKeyLSSAXZQYVMDNNY-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
4-chloro-2-phenyl-6-propan-2-ylquinazoline
CID 114590616
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
CID 63498026
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
4-chloro-6-fluoro-2-(5-fluoro-2-methylphenyl)quinazoline
CID 63085513
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
4-chloro-6-fluoro-2-(2-methoxyphenyl)quinazoline
CID 58683904
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
4-chloro-2-(difluoromethyl)-6-propan-2-ylquinazoline
CID 114590631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline?
The IUPAC name of 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline (CID 63497668) is 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline?
The canonical SMILES for 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline is CC(C)c1ccc(-c2nc(Cl)c3cc(F)ccc3n2)cc1.
What is the InChIKey of 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline?
The InChIKey is LSSAXZQYVMDNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(19)9-14(15)16(18)21-17/h3-10H,1-2H3.
What are the key properties of 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline?
4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline has a molecular weight of 300.76 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline is sourced from PubChem (CID 63497668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).