2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one

C18H13N3O2S — CID 137155525

IUPAC2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one
SMILESNc1nc2ccc([S@](=O)c3ccc4ccccc4c3)cc2c(=O)[nH]1
InChIInChI=1S/C18H13N3O2S/c19-18-20-16-8-7-14(10-15(16)17(22)21-18)24(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,19,20,21,22)/t24-/m1/s1
InChIKeyHSEIXEXKGPZXCJ-XMMPIXPASA-N
MW335.39 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one

2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one (PubChem CID 137155525) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one
PubChem CID137155525
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one
SMILESNc1nc2ccc([S@](=O)c3ccc4ccccc4c3)cc2c(=O)[nH]1
InChIInChI=1S/C18H13N3O2S/c19-18-20-16-8-7-14(10-15(16)17(22)21-18)24(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,19,20,21,22)/t24-/m1/s1
InChIKeyHSEIXEXKGPZXCJ-XMMPIXPASA-N
XLogP2.83
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-ethynyl-3H-quinazolin-4-one
CID 163214057
2-amino-3H-quinazolin-4-one;methanedithioic acid
CID 175778802
6-naphthalen-1-ylsulfinylquinazoline-2,4-diamine
CID 12555988
2-amino-7-fluoro-3H-quinazolin-4-one;vanadium
CID 160605565
1-methyl-3-naphthalen-2-ylsulfinylpyrrole
CID 154708756
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
CID 135838153
2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one
CID 135419221
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
CID 135483591
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)methylamino]benzaldehyde
CID 137084033
2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one (CID 137155525) is 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one is Nc1nc2ccc([S@](=O)c3ccc4ccccc4c3)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one?
The InChIKey is HSEIXEXKGPZXCJ-XMMPIXPASA-N. The full InChI is InChI=1S/C18H13N3O2S/c19-18-20-16-8-7-14(10-15(16)17(22)21-18)24(23)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,19,20,21,22)/t24-/m1/s1.
What are the key properties of 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one?
2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one has a molecular weight of 335.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(R)-naphthalen-2-ylsulfinyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).