(R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C22H26FN3O2S — CID 169155062

IUPAC(R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(-c3ccccc3F)n(C)c(=O)c2c1
InChIInChI=1S/C22H26FN3O2S/c1-13-11-16(14(2)25-29(28)22(3,4)5)19-17(12-13)21(27)26(6)20(24-19)15-9-7-8-10-18(15)23/h7-12,14,25H,1-6H3/t14-,29-/m1/s1
InChIKeyBSSIHEQWJVYZDQ-IZPCHGGPSA-N
MW415.53 g/mol
LogP4.16
Rot. Bonds4

About (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169155062) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169155062
Molecular FormulaC22H26FN3O2S
Molecular Weight415.53 g/mol
Exact Mass415.17
IUPAC Name(R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(-c3ccccc3F)n(C)c(=O)c2c1
InChIInChI=1S/C22H26FN3O2S/c1-13-11-16(14(2)25-29(28)22(3,4)5)19-17(12-13)21(27)26(6)20(24-19)15-9-7-8-10-18(15)23/h7-12,14,25H,1-6H3/t14-,29-/m1/s1
InChIKeyBSSIHEQWJVYZDQ-IZPCHGGPSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 169155062) is (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is Cc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(-c3ccccc3F)n(C)c(=O)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BSSIHEQWJVYZDQ-IZPCHGGPSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-13-11-16(14(2)25-29(28)22(3,4)5)19-17(12-13)21(27)26(6)20(24-19)15-9-7-8-10-18(15)23/h7-12,14,25H,1-6H3/t14-,29-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 415.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).