(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione

C23H24N2O2S — CID 6979932

IUPAC(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
SMILESCOc1ccccc1C=C1CCCC2=C1NC(=S)N[C@H]2c1ccccc1OC
InChIInChI=1S/C23H24N2O2S/c1-26-19-12-5-3-8-15(19)14-16-9-7-11-18-21(16)24-23(28)25-22(18)17-10-4-6-13-20(17)27-2/h3-6,8,10,12-14,22H,7,9,11H2,1-2H3,(H2,24,25,28)/t22-/m0/s1
InChIKeyUOVYQKRGIODRFA-QFIPXVFZSA-N
MW392.52 g/mol
LogP4.74
Rot. Bonds4

About (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione

(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione (PubChem CID 6979932) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione.

Molecular Properties

Compound Name(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
PubChem CID6979932
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
SMILESCOc1ccccc1C=C1CCCC2=C1NC(=S)N[C@H]2c1ccccc1OC
InChIInChI=1S/C23H24N2O2S/c1-26-19-12-5-3-8-15(19)14-16-9-7-11-18-21(16)24-23(28)25-22(18)17-10-4-6-13-20(17)27-2/h3-6,8,10,12-14,22H,7,9,11H2,1-2H3,(H2,24,25,28)/t22-/m0/s1
InChIKeyUOVYQKRGIODRFA-QFIPXVFZSA-N
XLogP4.74
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydropyrido[4,3-d]pyrimidine-2-thione
CID 71658753
(4S)-4-(2,3-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
CID 1308221
(4R,6R,8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione
CID 7255933
(8Z)-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-methyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione;hydrochloride
CID 6474998
(2S)-4-amino-2-(2-methoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
CID 51674446
1-[(4R)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 761962
(4R,8E)-4-naphthalen-1-yl-8-(naphthalen-1-ylmethylidene)-6-propyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
CID 2304582
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
(4S)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
CID 7064776
[(3S,3aR,7E)-3-(2-methoxyphenyl)-7-[(2-methoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-cyclopropylmethanone
CID 7689450
(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one
CID 11290694
4-(methoxymethyl)-2-[(2-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642829

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
The IUPAC name of (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione (CID 6979932) is (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione.
What is the SMILES notation for (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
The canonical SMILES for (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione is COc1ccccc1C=C1CCCC2=C1NC(=S)N[C@H]2c1ccccc1OC.
What is the InChIKey of (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
The InChIKey is UOVYQKRGIODRFA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-26-19-12-5-3-8-15(19)14-16-9-7-11-18-21(16)24-23(28)25-22(18)17-10-4-6-13-20(17)27-2/h3-6,8,10,12-14,22H,7,9,11H2,1-2H3,(H2,24,25,28)/t22-/m0/s1.
What are the key properties of (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione?
(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione has a molecular weight of 392.52 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione is sourced from PubChem (CID 6979932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).