(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline

C31H28N2 — CID 102370363

IUPAC(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline
SMILESCC(C)[C@H]1N2C(=Nc3ccccc3[C@H]2c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2/c1-22(2)29-31(24-16-8-4-9-17-24,25-18-10-5-11-19-25)30-32-27-21-13-12-20-26(27)28(33(29)30)23-14-6-3-7-15-23/h3-22,28-29H,1-2H3/t28-,29-/m1/s1
InChIKeyIIZSKOWHIADNRJ-FQLXRVMXSA-N
MW428.58 g/mol
LogP7.15
Rot. Bonds4

About (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline

(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline (PubChem CID 102370363) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline.

Molecular Properties

Compound Name(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline
PubChem CID102370363
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline
SMILESCC(C)[C@H]1N2C(=Nc3ccccc3[C@H]2c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N2/c1-22(2)29-31(24-16-8-4-9-17-24,25-18-10-5-11-19-25)30-32-27-21-13-12-20-26(27)28(33(29)30)23-14-6-3-7-15-23/h3-22,28-29H,1-2H3/t28-,29-/m1/s1
InChIKeyIIZSKOWHIADNRJ-FQLXRVMXSA-N
XLogP7.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline with MolForge

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Related Compounds

(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 10660103
(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
CID 101333892
(1R,8S)-8-methyl-2,2-diphenyl-1-thiophen-3-yl-1,8-dihydroazeto[2,1-b]quinazoline
CID 10573412
3-methyl-4-phenyl-4H-quinazoline
CID 118895473
3-benzyl-4-phenyl-4H-quinazolin-2-amine
CID 12628948
4-phenyl-2-propan-2-yl-4H-3,1-benzothiazine
CID 170395321
2-methyl-1-phenyl-1,5-dihydro-2,4-benzodiazepine
CID 86177757
2-butan-2-yl-1-phenyl-1,3-dihydroisoindole
CID 70881195
methyl 2-[(4R)-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]acetate
CID 95789541
10-methyl-10-phenyl-9-propan-2-yl-9H-anthracene
CID 176765593
11,13-dimethyl-11,13-dihydro-6H-quinazolino[2,3-b]quinazoline
CID 10084132
(4R)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 174626798

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline?
The IUPAC name of (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline (CID 102370363) is (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline.
What is the SMILES notation for (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline?
The canonical SMILES for (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline is CC(C)[C@H]1N2C(=Nc3ccccc3[C@H]2c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline?
The InChIKey is IIZSKOWHIADNRJ-FQLXRVMXSA-N. The full InChI is InChI=1S/C31H28N2/c1-22(2)29-31(24-16-8-4-9-17-24,25-18-10-5-11-19-25)30-32-27-21-13-12-20-26(27)28(33(29)30)23-14-6-3-7-15-23/h3-22,28-29H,1-2H3/t28-,29-/m1/s1.
What are the key properties of (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline?
(1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline has a molecular weight of 428.58 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-2,2,8-triphenyl-1-propan-2-yl-1,8-dihydroazeto[2,1-b]quinazoline is sourced from PubChem (CID 102370363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).