(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline

C27H22N2S — CID 10573412

IUPAC(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline
SMILESC[C@H]1c2ccccc2N=C2N1[C@@H](c1ccsc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2S/c1-19-23-14-8-9-15-24(23)28-26-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)25(29(19)26)20-16-17-30-18-20/h2-19,25H,1H3/t19-,25-/m0/s1
InChIKeyUUTZXEQZYVFWAL-DFBJGRDBSA-N
MW406.55 g/mol
LogP6.90
Rot. Bonds3

About (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline

(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline (PubChem CID 10573412) has the molecular formula C27H22N2S and a molecular weight of 406.55 g/mol. Its IUPAC name is (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline.

Molecular Properties

Compound Name(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline
PubChem CID10573412
Molecular FormulaC27H22N2S
Molecular Weight406.55 g/mol
Exact Mass406.15
IUPAC Name(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline
SMILESC[C@H]1c2ccccc2N=C2N1[C@@H](c1ccsc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2S/c1-19-23-14-8-9-15-24(23)28-26-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)25(29(19)26)20-16-17-30-18-20/h2-19,25H,1H3/t19-,25-/m0/s1
InChIKeyUUTZXEQZYVFWAL-DFBJGRDBSA-N
XLogP6.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline with MolForge

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Related Compounds

(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline
CID 102370363
11,13-dimethyl-11,13-dihydro-6H-quinazolino[2,3-b]quinazoline
CID 10084132
(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
CID 101333892
3-benzyl-4-methyl-4H-quinazolin-2-amine
CID 12628950
5-methyl-5-phenyl-2-thiophen-3-ylmorpholine
CID 105058714
3-methyl-2-phenyl-4-thiophen-3-yl-4,5-dihydro-1,3-benzodiazepine;hydrochloride
CID 22414409
(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 10660103
(3S)-3-methyl-3H-indole
CID 90192707
3-methyl-4-phenyl-4H-quinazoline
CID 118895473
1-ethyl-6-methyl-2,3,4,6-tetrahydropyrimido[2,1-b]quinazoline
CID 54439022
2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
CID 131182395
(9R,9aR)-2,3-dimethyl-9a-phenyl-1,9-dihydrocyclopenta[b]quinolin-9-ol
CID 139052042

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline?
The IUPAC name of (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline (CID 10573412) is (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline.
What is the SMILES notation for (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline?
The canonical SMILES for (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline is C[C@H]1c2ccccc2N=C2N1[C@@H](c1ccsc1)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline?
The InChIKey is UUTZXEQZYVFWAL-DFBJGRDBSA-N. The full InChI is InChI=1S/C27H22N2S/c1-19-23-14-8-9-15-24(23)28-26-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)25(29(19)26)20-16-17-30-18-20/h2-19,25H,1H3/t19-,25-/m0/s1.
What are the key properties of (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline?
(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline has a molecular weight of 406.55 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline is sourced from PubChem (CID 10573412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).