(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline

C19H20N2 — CID 10660103

IUPAC(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline
SMILESCC(C)[C@H]1CC2=Nc3ccccc3[C@H](c3ccccc3)N21
InChIInChI=1S/C19H20N2/c1-13(2)17-12-18-20-16-11-7-6-10-15(16)19(21(17)18)14-8-4-3-5-9-14/h3-11,13,17,19H,12H2,1-2H3/t17-,19+/m1/s1
InChIKeySYSKHASKHXGHSA-MJGOQNOKSA-N
MW276.38 g/mol
LogP4.55
Rot. Bonds2

About (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline

(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline (PubChem CID 10660103) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline.

Molecular Properties

Compound Name(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline
PubChem CID10660103
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline
SMILESCC(C)[C@H]1CC2=Nc3ccccc3[C@H](c3ccccc3)N21
InChIInChI=1S/C19H20N2/c1-13(2)17-12-18-20-16-11-7-6-10-15(16)19(21(17)18)14-8-4-3-5-9-14/h3-11,13,17,19H,12H2,1-2H3/t17-,19+/m1/s1
InChIKeySYSKHASKHXGHSA-MJGOQNOKSA-N
XLogP4.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[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
3-methyl-4-phenyl-4H-quinazoline
CID 118895473
(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
CID 101333892
3-benzyl-4-phenyl-4H-quinazolin-2-amine
CID 12628948
4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine
CID 170395321
2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
6-chloro-2,3-dimethyl-4-phenyl-4,5-dihydro-1,3-benzodiazepine
CID 19784474
2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine
CID 86177757
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
CID 95789541
2,3-dimethyl-4-phenyl-4H-imidazole-5-thione
CID 121223159
1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
CID 158471478
(6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
CID 1232533

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline?
The IUPAC name of (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline (CID 10660103) is (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline.
What is the SMILES notation for (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline?
The canonical SMILES for (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline is CC(C)[C@H]1CC2=Nc3ccccc3[C@H](c3ccccc3)N21.
What is the InChIKey of (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline?
The InChIKey is SYSKHASKHXGHSA-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H20N2/c1-13(2)17-12-18-20-16-11-7-6-10-15(16)19(21(17)18)14-8-4-3-5-9-14/h3-11,13,17,19H,12H2,1-2H3/t17-,19+/m1/s1.
What are the key properties of (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline?
(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline has a molecular weight of 276.38 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline is sourced from PubChem (CID 10660103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).