(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C13H13N3OS — CID 97183786

IUPAC(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)s1
InChIInChI=1S/C13H13N3OS/c1-7-2-3-12(18-7)8-4-10-9(11(17)5-8)6-15-13(14)16-10/h2-3,6,8H,4-5H2,1H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyJRFMJXQMZMZTRB-MRVPVSSYSA-N
MW259.33 g/mol
LogP2.34
Rot. Bonds1

About (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 97183786) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID97183786
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)s1
InChIInChI=1S/C13H13N3OS/c1-7-2-3-12(18-7)8-4-10-9(11(17)5-8)6-15-13(14)16-10/h2-3,6,8H,4-5H2,1H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyJRFMJXQMZMZTRB-MRVPVSSYSA-N
XLogP2.34
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
(6S)-6-(5-methylthiophen-2-yl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
CID 97183811
(7S)-2-amino-7-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 97183729
2-amino-7-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 58269385
4-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 16566970
2-amino-7,8-dihydro-6H-quinazolin-5-one;hydrochloride
CID 56777519
3-(5-methylthiophen-2-yl)azetidine
CID 130160315
(4R)-2-ethoxy-4-(5-methylthiophen-2-yl)-6-oxocyclohexene-1-carbonitrile
CID 97183812
2-[(4-methylquinazolin-2-yl)amino]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 16584542
N-[2-amino-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290990
(7R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-(4-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 99721337
N-(2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-ylidene)hydroxylamine
CID 74425280

Frequently Asked Questions

What is the IUPAC name of (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 97183786) is (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)s1.
What is the InChIKey of (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is JRFMJXQMZMZTRB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-2-3-12(18-7)8-4-10-9(11(17)5-8)6-15-13(14)16-10/h2-3,6,8H,4-5H2,1H3,(H2,14,15,16)/t8-/m1/s1.
What are the key properties of (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 259.33 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-amino-7-(5-methylthiophen-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 97183786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).