2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one

C19H16ClFN2OS — CID 2730521

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1CC1CC1
InChIInChI=1S/C19H16ClFN2OS/c20-15-5-3-6-16(21)14(15)11-25-19-22-17-7-2-1-4-13(17)18(24)23(19)10-12-8-9-12/h1-7,12H,8-11H2
InChIKeyQZSAFUYSJKONSE-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.89
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one (PubChem CID 2730521) has the molecular formula C19H16ClFN2OS and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one
PubChem CID2730521
Molecular FormulaC19H16ClFN2OS
Molecular Weight374.87 g/mol
Exact Mass374.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1CC1CC1
InChIInChI=1S/C19H16ClFN2OS/c20-15-5-3-6-16(21)14(15)11-25-19-22-17-7-2-1-4-13(17)18(24)23(19)10-12-8-9-12/h1-7,12H,8-11H2
InChIKeyQZSAFUYSJKONSE-UHFFFAOYSA-N
XLogP4.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one (CID 2730521) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1CC1CC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one?
The InChIKey is QZSAFUYSJKONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2OS/c20-15-5-3-6-16(21)14(15)11-25-19-22-17-7-2-1-4-13(17)18(24)23(19)10-12-8-9-12/h1-7,12H,8-11H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one has a molecular weight of 374.87 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(cyclopropylmethyl)quinazolin-4-one is sourced from PubChem (CID 2730521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).