(R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

About (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 170753382) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name	(R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID	170753382
Molecular Formula	C22H28FN3O3S
Molecular Weight	433.55 g/mol
Exact Mass	433.18
IUPAC Name	(R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
SMILES	CC(=N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C3CC3)c([C@H]3CCCCO3)nc12
InChI	InChI=1S/C22H28FN3O3S/c1-13(25-30(28)22(2,3)4)16-11-14(23)12-17-19(16)24-20(18-7-5-6-10-29-18)26(21(17)27)15-8-9-15/h11-12,15,18H,5-10H2,1-4H3/t18-,30-/m1/s1
InChIKey	XZAVFABXXPAYDU-VPTFNQTCSA-N
XLogP	4.38
TPSA	73.55 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 170753382) is (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C3CC3)c([C@H]3CCCCO3)nc12.

What is the InChIKey of (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?

The InChIKey is XZAVFABXXPAYDU-VPTFNQTCSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-13(25-30(28)22(2,3)4)16-11-14(23)12-17-19(16)24-20(18-7-5-6-10-29-18)26(21(17)27)15-8-9-15/h11-12,15,18H,5-10H2,1-4H3/t18-,30-/m1/s1.

What are the key properties of (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?

(R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 433.55 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).