2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione

C23H24N2S — CID 992621

IUPAC2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(CCCc2ccccc2)c2c1CCCC2
InChIInChI=1S/C23H24N2S/c26-23-20-15-7-8-16-21(20)25(17-9-12-18-10-3-1-4-11-18)22(24-23)19-13-5-2-6-14-19/h1-6,10-11,13-14H,7-9,12,15-17H2
InChIKeyLOXOIOBDUSQMFO-UHFFFAOYSA-N
MW360.53 g/mol
LogP5.79
Rot. Bonds5

About 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione

2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 992621) has the molecular formula C23H24N2S and a molecular weight of 360.53 g/mol. Its IUPAC name is 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID992621
Molecular FormulaC23H24N2S
Molecular Weight360.53 g/mol
Exact Mass360.17
IUPAC Name2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(CCCc2ccccc2)c2c1CCCC2
InChIInChI=1S/C23H24N2S/c26-23-20-15-7-8-16-21(20)25(17-9-12-18-10-3-1-4-11-18)22(24-23)19-13-5-2-6-14-19/h1-6,10-11,13-14H,7-9,12,15-17H2
InChIKeyLOXOIOBDUSQMFO-UHFFFAOYSA-N
XLogP5.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.53
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 945692
SDZ-62-434 free
CID 9801987
6-phenyl-3,4-dihydro-2H-pyrimido[1,2-c]quinazoline
CID 403513
1-[3-(Dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 938946
7-butyl-6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10070778
6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10567444
[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
CID 10735359
6-[4-(2-phenylethyl)phenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 11793166
7-butyl-6-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 11793675
1-isobutyl-2-phenyl-5,6,7,8-tetrahydro-4(1H)-quinazolinethione
CID 713117
5-p-Tolyl-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10015480
Diallyl-[4-(2,3-dihydro-imidazo[2,1-a]isoquinolin-5-yl)-benzyl]-amine
CID 10021121

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione (CID 992621) is 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione is S=c1nc(-c2ccccc2)n(CCCc2ccccc2)c2c1CCCC2.
What is the InChIKey of 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is LOXOIOBDUSQMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2S/c26-23-20-15-7-8-16-21(20)25(17-9-12-18-10-3-1-4-11-18)22(24-23)19-13-5-2-6-14-19/h1-6,10-11,13-14H,7-9,12,15-17H2.
What are the key properties of 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 360.53 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 992621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).