(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one

C18H16N2O2 — CID 100923623

IUPAC(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
SMILESCOc1ccc([C@@H]2[C@H](C)c3nc4ccccc4c(=O)n32)cc1
InChIInChI=1S/C18H16N2O2/c1-11-16(12-7-9-13(22-2)10-8-12)20-17(11)19-15-6-4-3-5-14(15)18(20)21/h3-11,16H,1-2H3/t11-,16-/m0/s1
InChIKeyTZAHECJDUUWSNS-ZBEGNZNMSA-N
MW292.34 g/mol
LogP3.11
Rot. Bonds2

About (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one

(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one (PubChem CID 100923623) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one.

Molecular Properties

Compound Name(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
PubChem CID100923623
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
SMILESCOc1ccc([C@@H]2[C@H](C)c3nc4ccccc4c(=O)n32)cc1
InChIInChI=1S/C18H16N2O2/c1-11-16(12-7-9-13(22-2)10-8-12)20-17(11)19-15-6-4-3-5-14(15)18(20)21/h3-11,16H,1-2H3/t11-,16-/m0/s1
InChIKeyTZAHECJDUUWSNS-ZBEGNZNMSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one with MolForge

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Related Compounds

(1R)-1-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497850
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 102116155
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10992108
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 15836279
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
CID 7911386
(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
CID 136911540

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one?
The IUPAC name of (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one (CID 100923623) is (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one.
What is the SMILES notation for (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one?
The canonical SMILES for (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one is COc1ccc([C@@H]2[C@H](C)c3nc4ccccc4c(=O)n32)cc1.
What is the InChIKey of (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one?
The InChIKey is TZAHECJDUUWSNS-ZBEGNZNMSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-16(12-7-9-13(22-2)10-8-12)20-17(11)19-15-6-4-3-5-14(15)18(20)21/h3-11,16H,1-2H3/t11-,16-/m0/s1.
What are the key properties of (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one?
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one has a molecular weight of 292.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one is sourced from PubChem (CID 100923623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).