2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile

C15H14N4OS — CID 3244416

IUPAC2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile
SMILESCC(C)C1N=C2c3ccccc3N=C(SCC#N)N2C1=O
InChIInChI=1S/C15H14N4OS/c1-9(2)12-14(20)19-13(18-12)10-5-3-4-6-11(10)17-15(19)21-8-7-16/h3-6,9,12H,8H2,1-2H3
InChIKeyCOHYMRLCKRCOHK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.56
Rot. Bonds2

About 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile

2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile (PubChem CID 3244416) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile
PubChem CID3244416
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile
SMILESCC(C)C1N=C2c3ccccc3N=C(SCC#N)N2C1=O
InChIInChI=1S/C15H14N4OS/c1-9(2)12-14(20)19-13(18-12)10-5-3-4-6-11(10)17-15(19)21-8-7-16/h3-6,9,12H,8H2,1-2H3
InChIKeyCOHYMRLCKRCOHK-UHFFFAOYSA-N
XLogP2.56
TPSA68.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile (CID 3244416) is 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile is CC(C)C1N=C2c3ccccc3N=C(SCC#N)N2C1=O.
What is the InChIKey of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile?
The InChIKey is COHYMRLCKRCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9(2)12-14(20)19-13(18-12)10-5-3-4-6-11(10)17-15(19)21-8-7-16/h3-6,9,12H,8H2,1-2H3.
What are the key properties of 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile?
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile has a molecular weight of 298.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 3244416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).