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

C27H22N2O — CID 101333892

IUPAC(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
SMILESC[C@]1(c2ccccc2)C2=Nc3ccccc3[C@H](c3ccccc3)N2[C@H]1c1ccco1
InChIInChI=1S/C27H22N2O/c1-27(20-13-6-3-7-14-20)25(23-17-10-18-30-23)29-24(19-11-4-2-5-12-19)21-15-8-9-16-22(21)28-26(27)29/h2-18,24-25H,1H3/t24-,25-,27+/m0/s1
InChIKeyRULHJOMQCNOHRC-OHSXHVKISA-N
MW390.49 g/mol
LogP6.43
Rot. Bonds3

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

(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline (PubChem CID 101333892) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline.

Molecular Properties

Compound Name(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
PubChem CID101333892
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline
SMILESC[C@]1(c2ccccc2)C2=Nc3ccccc3[C@H](c3ccccc3)N2[C@H]1c1ccco1
InChIInChI=1S/C27H22N2O/c1-27(20-13-6-3-7-14-20)25(23-17-10-18-30-23)29-24(19-11-4-2-5-12-19)21-15-8-9-16-22(21)28-26(27)29/h2-18,24-25H,1H3/t24-,25-,27+/m0/s1
InChIKeyRULHJOMQCNOHRC-OHSXHVKISA-N
XLogP6.43
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-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
(1R,8S)-8-phenyl-1-propan-2-yl-2,8-dihydro-1H-azeto[2,1-b]quinazoline
CID 10660103
(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
(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene
CID 122222800
(4R)-6-(furan-2-yl)-5-methyl-4-phenyl-1-propan-2-yl-4H-pyrazolo[5,4-d]pyrimidine
CID 8892568
(2R,5R)-5-(furan-2-yl)-1,2-diphenylpyrrolidin-3-one
CID 11197439
(6S)-6-(furan-2-yl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 6937678
4-(furan-2-yl)-1-methyl-3-phenylazetidin-2-one
CID 101419326
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
(5R)-3-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 40778951
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 15056816

Frequently Asked Questions

What is the IUPAC name of (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline?
The IUPAC name of (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline (CID 101333892) is (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline.
What is the SMILES notation for (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline?
The canonical SMILES for (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline is C[C@]1(c2ccccc2)C2=Nc3ccccc3[C@H](c3ccccc3)N2[C@H]1c1ccco1.
What is the InChIKey of (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline?
The InChIKey is RULHJOMQCNOHRC-OHSXHVKISA-N. The full InChI is InChI=1S/C27H22N2O/c1-27(20-13-6-3-7-14-20)25(23-17-10-18-30-23)29-24(19-11-4-2-5-12-19)21-15-8-9-16-22(21)28-26(27)29/h2-18,24-25H,1H3/t24-,25-,27+/m0/s1.
What are the key properties of (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline?
(1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline has a molecular weight of 390.49 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8S)-1-(furan-2-yl)-2-methyl-2,8-diphenyl-1,8-dihydroazeto[2,1-b]quinazoline is sourced from PubChem (CID 101333892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).