(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one

C17H18N2OS — CID 155321685

IUPAC(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one
SMILESO=c1[nH]c(=S)[nH]c2c1CC[C@]1(CCc3ccccc3C1)C2
InChIInChI=1S/C17H18N2OS/c20-15-13-6-8-17(10-14(13)18-16(21)19-15)7-5-11-3-1-2-4-12(11)9-17/h1-4H,5-10H2,(H2,18,19,20,21)/t17-/m0/s1
InChIKeyFMYKEVZYXPCMDJ-KRWDZBQOSA-N
MW298.41 g/mol
LogP3.10
Rot. Bonds

About (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one

(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one (PubChem CID 155321685) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one.

Molecular Properties

Compound Name(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one
PubChem CID155321685
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one
SMILESO=c1[nH]c(=S)[nH]c2c1CC[C@]1(CCc3ccccc3C1)C2
InChIInChI=1S/C17H18N2OS/c20-15-13-6-8-17(10-14(13)18-16(21)19-15)7-5-11-3-1-2-4-12(11)9-17/h1-4H,5-10H2,(H2,18,19,20,21)/t17-/m0/s1
InChIKeyFMYKEVZYXPCMDJ-KRWDZBQOSA-N
XLogP3.10
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one?
The IUPAC name of (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one (CID 155321685) is (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one.
What is the SMILES notation for (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one?
The canonical SMILES for (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one is O=c1[nH]c(=S)[nH]c2c1CC[C@]1(CCc3ccccc3C1)C2.
What is the InChIKey of (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one?
The InChIKey is FMYKEVZYXPCMDJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-15-13-6-8-17(10-14(13)18-16(21)19-15)7-5-11-3-1-2-4-12(11)9-17/h1-4H,5-10H2,(H2,18,19,20,21)/t17-/m0/s1.
What are the key properties of (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one?
(7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one has a molecular weight of 298.41 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-sulfanylidenespiro[1,5,6,8-tetrahydroquinazoline-7,3'-2,4-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 155321685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).