6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline

C19H17ClF2N4O — CID 118010270

IUPAC6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline
SMILESCOc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)ncnc2c1F
InChIInChI=1S/C19H17ClF2N4O/c1-27-14-4-2-3-13(21)16(14)15-12(20)9-11-18(17(15)22)24-10-25-19(11)26-7-5-23-6-8-26/h2-4,9-10,23H,5-8H2,1H3
InChIKeyZRZNLJZZODBRMW-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.65
Rot. Bonds3

About 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline

6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline (PubChem CID 118010270) has the molecular formula C19H17ClF2N4O and a molecular weight of 390.82 g/mol. Its IUPAC name is 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline
PubChem CID118010270
Molecular FormulaC19H17ClF2N4O
Molecular Weight390.82 g/mol
Exact Mass390.11
IUPAC Name6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline
SMILESCOc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)ncnc2c1F
InChIInChI=1S/C19H17ClF2N4O/c1-27-14-4-2-3-13(21)16(14)15-12(20)9-11-18(17(15)22)24-10-25-19(11)26-7-5-23-6-8-26/h2-4,9-10,23H,5-8H2,1H3
InChIKeyZRZNLJZZODBRMW-UHFFFAOYSA-N
XLogP3.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline (CID 118010270) is 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline is COc1cccc(F)c1-c1c(Cl)cc2c(N3CCNCC3)ncnc2c1F.
What is the InChIKey of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline?
The InChIKey is ZRZNLJZZODBRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O/c1-27-14-4-2-3-13(21)16(14)15-12(20)9-11-18(17(15)22)24-10-25-19(11)26-7-5-23-6-8-26/h2-4,9-10,23H,5-8H2,1H3.
What are the key properties of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline?
6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline has a molecular weight of 390.82 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 118010270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).