2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile

C14H13N3O2 — CID 175925122

IUPAC2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
SMILESCc1ncc2cc(O[C@H]3CCOC3)c(C#N)cc2n1
InChIInChI=1S/C14H13N3O2/c1-9-16-7-11-5-14(19-12-2-3-18-8-12)10(6-15)4-13(11)17-9/h4-5,7,12H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyICUVOFPEOGHNPP-LBPRGKRZSA-N
MW255.28 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile

2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile (PubChem CID 175925122) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
PubChem CID175925122
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
SMILESCc1ncc2cc(O[C@H]3CCOC3)c(C#N)cc2n1
InChIInChI=1S/C14H13N3O2/c1-9-16-7-11-5-14(19-12-2-3-18-8-12)10(6-15)4-13(11)17-9/h4-5,7,12H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyICUVOFPEOGHNPP-LBPRGKRZSA-N
XLogP1.98
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile 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 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
The IUPAC name of 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile (CID 175925122) is 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
The canonical SMILES for 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile is Cc1ncc2cc(O[C@H]3CCOC3)c(C#N)cc2n1.
What is the InChIKey of 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
The InChIKey is ICUVOFPEOGHNPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-16-7-11-5-14(19-12-2-3-18-8-12)10(6-15)4-13(11)17-9/h4-5,7,12H,2-3,8H2,1H3/t12-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile?
2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile is sourced from PubChem (CID 175925122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).