4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile

C19H16N4O2 — CID 143151738

IUPAC4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
SMILESCc1c(N=O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12
InChIInChI=1S/C19H16N4O2/c1-11(2)18-21-17-12(3)16(22-25)9-8-15(17)19(24)23(18)14-6-4-13(10-20)5-7-14/h4-9,11H,1-3H3
InChIKeyUTUJQWSNPGNJTF-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.09
Rot. Bonds3

About 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile

4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile (PubChem CID 143151738) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
PubChem CID143151738
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
SMILESCc1c(N=O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12
InChIInChI=1S/C19H16N4O2/c1-11(2)18-21-17-12(3)16(22-25)9-8-15(17)19(24)23(18)14-6-4-13(10-20)5-7-14/h4-9,11H,1-3H3
InChIKeyUTUJQWSNPGNJTF-UHFFFAOYSA-N
XLogP4.09
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
CID 59777571
4-(8-cyclopropyl-7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
CID 59777567
4-(7-hydroxy-4-oxo-8-propanoyl-2-propan-2-ylquinazolin-3-yl)benzonitrile
CID 67112838
3-(4-chlorophenyl)-8-iodo-7-nitroso-2-propan-2-ylquinazolin-4-one
CID 163930616
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
7-amino-3-(4-chlorophenyl)-2-propan-2-yl-8-(2-trimethylsilylethynyl)quinazolin-4-one
CID 59868231
3-(4-chlorophenyl)-8-(cyclopropylmethoxy)-7-hydroxy-2-propan-2-ylquinazolin-4-one
CID 45118223
2-fluoro-5-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
CID 59777557
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
3-(4-chlorophenyl)-7-nitro-2-propan-2-ylquinazolin-4-one;ethane
CID 143481243
4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile
CID 175617063
4-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)-2-methoxybenzonitrile;3-(4-iodophenyl)-2-propan-2-ylquinazolin-4-one
CID 67113007

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The IUPAC name of 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile (CID 143151738) is 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile.
What is the SMILES notation for 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The canonical SMILES for 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile is Cc1c(N=O)ccc2c(=O)n(-c3ccc(C#N)cc3)c(C(C)C)nc12.
What is the InChIKey of 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
The InChIKey is UTUJQWSNPGNJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11(2)18-21-17-12(3)16(22-25)9-8-15(17)19(24)23(18)14-6-4-13(10-20)5-7-14/h4-9,11H,1-3H3.
What are the key properties of 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile?
4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile has a molecular weight of 332.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-7-nitroso-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile is sourced from PubChem (CID 143151738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).