7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione

C18H20N2OS — CID 154133594

IUPAC7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione
SMILESCOc1ccc2c(c1)N(C(C)C)C(=S)NC2c1ccccc1
InChIInChI=1S/C18H20N2OS/c1-12(2)20-16-11-14(21-3)9-10-15(16)17(19-18(20)22)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,19,22)
InChIKeyXCDBWUVJDWZXMJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.89
Rot. Bonds3

About 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione

7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione (PubChem CID 154133594) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione.

Molecular Properties

Compound Name7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione
PubChem CID154133594
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione
SMILESCOc1ccc2c(c1)N(C(C)C)C(=S)NC2c1ccccc1
InChIInChI=1S/C18H20N2OS/c1-12(2)20-16-11-14(21-3)9-10-15(16)17(19-18(20)22)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,19,22)
InChIKeyXCDBWUVJDWZXMJ-UHFFFAOYSA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 124507823
methyl 6-(3-methoxyphenyl)-4-methyl-3-(2-methylpropyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 56588729
4,7-dimethoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 71032679
4-[(3S,5S)-3-ethyl-8-methoxy-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl]butan-2-ol
CID 54284527
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
(1R,4aR,9aS)-7-methoxy-1,9-dimethyl-1,2,3,4,4a,9a-hexahydropyrido[3,4-b]indole
CID 928825
(5S)-2-methyl-5-phenyl-4,5-dihydro-1H-2,4-benzodiazepine-3-thione
CID 129363287
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 42994816
(2S,4R)-4-ethenyl-6-methoxy-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 102052144
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione?
The IUPAC name of 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione (CID 154133594) is 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione.
What is the SMILES notation for 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione?
The canonical SMILES for 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione is COc1ccc2c(c1)N(C(C)C)C(=S)NC2c1ccccc1.
What is the InChIKey of 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione?
The InChIKey is XCDBWUVJDWZXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-12(2)20-16-11-14(21-3)9-10-15(16)17(19-18(20)22)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,19,22).
What are the key properties of 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione?
7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione has a molecular weight of 312.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenyl-1-propan-2-yl-3,4-dihydroquinazoline-2-thione is sourced from PubChem (CID 154133594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).