(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

C19H25N3O2 — CID 129482303

IUPAC(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCc1cccc2ncnc(N3CCC[C@@H]3[C@H]3COCC[C@@]3(C)O)c12
InChIInChI=1S/C19H25N3O2/c1-13-5-3-6-15-17(13)18(21-12-20-15)22-9-4-7-16(22)14-11-24-10-8-19(14,2)23/h3,5-6,12,14,16,23H,4,7-11H2,1-2H3/t14-,16-,19-/m1/s1
InChIKeyANSUYTOJZASEMN-IDHHARJASA-N
MW327.43 g/mol
LogP2.69
Rot. Bonds2

About (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129482303) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129482303
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESCc1cccc2ncnc(N3CCC[C@@H]3[C@H]3COCC[C@@]3(C)O)c12
InChIInChI=1S/C19H25N3O2/c1-13-5-3-6-15-17(13)18(21-12-20-15)22-9-4-7-16(22)14-11-24-10-8-19(14,2)23/h3,5-6,12,14,16,23H,4,7-11H2,1-2H3/t14-,16-,19-/m1/s1
InChIKeyANSUYTOJZASEMN-IDHHARJASA-N
XLogP2.69
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (CID 129482303) is (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is Cc1cccc2ncnc(N3CCC[C@@H]3[C@H]3COCC[C@@]3(C)O)c12.
What is the InChIKey of (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is ANSUYTOJZASEMN-IDHHARJASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-3-6-15-17(13)18(21-12-20-15)22-9-4-7-16(22)14-11-24-10-8-19(14,2)23/h3,5-6,12,14,16,23H,4,7-11H2,1-2H3/t14-,16-,19-/m1/s1.
What are the key properties of (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 327.43 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129482303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).