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

C19H26FN3O2S — CID 169154657

IUPAC(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C3(F)CC3)n(C)c(=O)c2c1
InChIInChI=1S/C19H26FN3O2S/c1-11-9-13(12(2)22-26(25)18(3,4)5)15-14(10-11)16(24)23(6)17(21-15)19(20)7-8-19/h9-10,12,22H,7-8H2,1-6H3/t12-,26-/m1/s1
InChIKeyXJMVAIADLFAUTF-MZHQLVBMSA-N
MW379.50 g/mol
LogP3.31
Rot. Bonds4

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

(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169154657) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169154657
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC Name(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(C3(F)CC3)n(C)c(=O)c2c1
InChIInChI=1S/C19H26FN3O2S/c1-11-9-13(12(2)22-26(25)18(3,4)5)15-14(10-11)16(24)23(6)17(21-15)19(20)7-8-19/h9-10,12,22H,7-8H2,1-6H3/t12-,26-/m1/s1
InChIKeyXJMVAIADLFAUTF-MZHQLVBMSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-Cyclopropyl-3-ethyl-4-oxo-3,4-dihydroquinazoline-6-carboxamide
CID 53015892
N-Cyclopropyl-2-methyl-11-oxo-11H-pyrido[2,1-B]quinazoline-6-carboxamide
CID 53014044
3-Ethyl-4-oxo-N-(propan-2-YL)-3,4-dihydroquinazoline-6-carboxamide
CID 53015890
N-[2-(3-ethyl-8-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 53159144
2-cyclopropyl-N-(4,4-difluorocyclohexyl)-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 146470523
8-Acetyl-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154485
8-[(1R)-1-aminoethyl]-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one
CID 169154491
(R)-N-[(1R)-1-[2-(3-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154625
8-[(1R)-1-aminoethyl]-2-(3,3-difluorocyclobutyl)-3,6-dimethylquinazolin-4-one
CID 169154684
(R)-N-[(1R)-1-[2-(1-fluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154705
(R)-N-[(1R)-1-[2-(3,3-difluorocyclobutyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154711
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154717

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 169154657) is (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-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(C3(F)CC3)n(C)c(=O)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XJMVAIADLFAUTF-MZHQLVBMSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-11-9-13(12(2)22-26(25)18(3,4)5)15-14(10-11)16(24)23(6)17(21-15)19(20)7-8-19/h9-10,12,22H,7-8H2,1-6H3/t12-,26-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 379.50 g/mol, XLogP of 3.31, 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-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).