6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline

C20H19N3OS — CID 7149454

IUPAC6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(SC[C@@H]1CCCCO1)n1c3ccccc3nc21
InChIInChI=1S/C20H19N3OS/c1-2-9-16-15(8-1)19-21-17-10-3-4-11-18(17)23(19)20(22-16)25-13-14-7-5-6-12-24-14/h1-4,8-11,14H,5-7,12-13H2/t14-/m0/s1
InChIKeyKJYCZMUFEBXNTB-AWEZNQCLSA-N
MW349.46 g/mol
LogP4.70
Rot. Bonds3

About 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline

6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline (PubChem CID 7149454) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline
PubChem CID7149454
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(SC[C@@H]1CCCCO1)n1c3ccccc3nc21
InChIInChI=1S/C20H19N3OS/c1-2-9-16-15(8-1)19-21-17-10-3-4-11-18(17)23(19)20(22-16)25-13-14-7-5-6-12-24-14/h1-4,8-11,14H,5-7,12-13H2/t14-/m0/s1
InChIKeyKJYCZMUFEBXNTB-AWEZNQCLSA-N
XLogP4.70
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-chlorophenyl)methyl]-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 5211736
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(oxolan-2-ylmethylsulfanyl)-3-prop-2-enylquinazolin-4-one
CID 78761732
3-(3,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 4812088
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one
CID 8602777
3-[(4-chlorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 42054654
3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 9360924
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclohexyl-N-ethylacetamide
CID 7173243
3-[(2-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 42054679
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-1-morpholin-4-ylethanone
CID 3949436
1-(oxan-2-ylmethylsulfanyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 42966744

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline (CID 7149454) is 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)nc(SC[C@@H]1CCCCO1)n1c3ccccc3nc21.
What is the InChIKey of 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is KJYCZMUFEBXNTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-2-9-16-15(8-1)19-21-17-10-3-4-11-18(17)23(19)20(22-16)25-13-14-7-5-6-12-24-14/h1-4,8-11,14H,5-7,12-13H2/t14-/m0/s1.
What are the key properties of 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline?
6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 349.46 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 7149454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).