(R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C24H27N3O3S — CID 169154530

IUPAC(R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(-c3cccc4ccoc34)n(C)c(=O)c2c1
InChIInChI=1S/C24H27N3O3S/c1-14-12-18(15(2)26-31(29)24(3,4)5)20-19(13-14)23(28)27(6)22(25-20)17-9-7-8-16-10-11-30-21(16)17/h7-13,15,26H,1-6H3/t15-,31-/m1/s1
InChIKeyKBGIXTZGVBSTAZ-LHEBDHONSA-N
MW437.57 g/mol
LogP4.77
Rot. Bonds4

About (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169154530) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169154530
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2nc(-c3cccc4ccoc34)n(C)c(=O)c2c1
InChIInChI=1S/C24H27N3O3S/c1-14-12-18(15(2)26-31(29)24(3,4)5)20-19(13-14)23(28)27(6)22(25-20)17-9-7-8-16-10-11-30-21(16)17/h7-13,15,26H,1-6H3/t15-,31-/m1/s1
InChIKeyKBGIXTZGVBSTAZ-LHEBDHONSA-N
XLogP4.77
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

3-[[3-(Aminomethyl)cyclohexyl]methyl]-2-(1-benzofuran-5-yl)quinazolin-4-one
CID 22058130
3-[[3-(Aminomethyl)cyclohexyl]methyl]-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one
CID 22058191
3-[[3-(Aminomethyl)phenyl]methyl]-2-(1-benzofuran-5-yl)quinazolin-4-one
CID 22484690
3-[[3-(aminomethyl)phenyl]methyl]-2-[(E)-2-(furan-2-yl)ethenyl]-6-methylquinazolin-4-one
CID 22484703
3-[[3-(Aminomethyl)phenyl]methyl]-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one
CID 22484752
3-(3-Aminopropyl)-2-(1-benzofuran-5-yl)-6-methoxyquinazolin-4-one
CID 22484769
3-(3-Aminopropyl)-2-(1-benzofuran-5-yl)quinazolin-4-one
CID 22484770
3-(3-Aminopropyl)-2-(1-benzofuran-5-yl)-6-methylquinazolin-4-one
CID 22484809
3-[[3-(Aminomethyl)cyclohexyl]methyl]-2-(1-benzofuran-5-ylmethyl)quinazolin-4-one
CID 69595050
3-(3-Aminopropyl)-2-(2-benzofuran-5-yl)quinazolin-4-one
CID 69737061
3-(3-Aminopropyl)-2-(2-benzofuran-5-yl)-6-methoxyquinazolin-4-one
CID 69737259
3-(3-Aminopropyl)-2-(2-benzofuran-5-yl)-6-methylquinazolin-4-one
CID 69737422

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 169154530) is (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-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(-c3cccc4ccoc34)n(C)c(=O)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KBGIXTZGVBSTAZ-LHEBDHONSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-14-12-18(15(2)26-31(29)24(3,4)5)20-19(13-14)23(28)27(6)22(25-20)17-9-7-8-16-10-11-30-21(16)17/h7-13,15,26H,1-6H3/t15-,31-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 437.57 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[2-(1-benzofuran-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).