2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one

C25H26N2O2S — CID 167092978

IUPAC2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one
SMILESCSc1nc2c(c(=O)[nH]1)CCC1(CCCc3ccc(OCc4ccccc4)cc31)C2
InChIInChI=1S/C25H26N2O2S/c1-30-24-26-22-15-25(13-11-20(22)23(28)27-24)12-5-8-18-9-10-19(14-21(18)25)29-16-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15-16H2,1H3,(H,26,27,28)
InChIKeyAZQUQWUKFQZWHA-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.83
Rot. Bonds4

About 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one

2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one (PubChem CID 167092978) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one.

Molecular Properties

Compound Name2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one
PubChem CID167092978
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one
SMILESCSc1nc2c(c(=O)[nH]1)CCC1(CCCc3ccc(OCc4ccccc4)cc31)C2
InChIInChI=1S/C25H26N2O2S/c1-30-24-26-22-15-25(13-11-20(22)23(28)27-24)12-5-8-18-9-10-19(14-21(18)25)29-16-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15-16H2,1H3,(H,26,27,28)
InChIKeyAZQUQWUKFQZWHA-UHFFFAOYSA-N
XLogP4.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-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

Related Compounds

(2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-6,8-dihydro-5H-quinazoline]-4'-yl) trifluoromethanesulfonate
CID 172803648
4'-[(2R)-2-(methoxymethyl)-4-tritylpiperazin-1-yl]-2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-6,8-dihydro-5H-quinazoline]
CID 172686845
methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate
CID 57285351
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
(7S)-4'-chloro-3'-methyl-2-methylsulfanylspiro[3,5,6,8-tetrahydroquinazoline-7,1'-indene]-4-one
CID 164853640
3-phenylmethoxy-7,8,9,10-tetrahydro-5H-benzo[8]annulen-6-one
CID 118324757
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
ethyl 7-methyl-2-methylsulfanyl-4-oxo-5-(3-phenylmethoxyphenyl)-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135720845
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one
CID 170705975
1,1-dimethyl-5-phenylmethoxy-2,3-dihydroindol-1-ium
CID 76846919

Frequently Asked Questions

What is the IUPAC name of 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
The IUPAC name of 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one (CID 167092978) is 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one.
What is the SMILES notation for 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
The canonical SMILES for 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one is CSc1nc2c(c(=O)[nH]1)CCC1(CCCc3ccc(OCc4ccccc4)cc31)C2.
What is the InChIKey of 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
The InChIKey is AZQUQWUKFQZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-30-24-26-22-15-25(13-11-20(22)23(28)27-24)12-5-8-18-9-10-19(14-21(18)25)29-16-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15-16H2,1H3,(H,26,27,28).
What are the key properties of 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one?
2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one has a molecular weight of 418.56 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylsulfanyl-6-phenylmethoxyspiro[2,3-dihydro-1H-naphthalene-4,7'-3,5,6,8-tetrahydroquinazoline]-4'-one is sourced from PubChem (CID 167092978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).