7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one

C35H34N2O2 — CID 162664493

IUPAC7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(OCc3ccccc3)cc1)N(c1ccccc1)C2
InChIInChI=1S/C35H34N2O2/c1-35(2)22-32-31(33(38)23-35)24-36(28-14-8-4-9-15-28)34(37(32)29-16-10-5-11-17-29)27-18-20-30(21-19-27)39-25-26-12-6-3-7-13-26/h3-21,34H,22-25H2,1-2H3
InChIKeyJTNPWXNTTSBZOQ-UHFFFAOYSA-N
MW514.67 g/mol
LogP7.93
Rot. Bonds6

About 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one

7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162664493) has the molecular formula C35H34N2O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
PubChem CID162664493
Molecular FormulaC35H34N2O2
Molecular Weight514.67 g/mol
Exact Mass514.26
IUPAC Name7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(OCc3ccccc3)cc1)N(c1ccccc1)C2
InChIInChI=1S/C35H34N2O2/c1-35(2)22-32-31(33(38)23-35)24-36(28-14-8-4-9-15-28)34(37(32)29-16-10-5-11-17-29)27-18-20-30(21-19-27)39-25-26-12-6-3-7-13-26/h3-21,34H,22-25H2,1-2H3
InChIKeyJTNPWXNTTSBZOQ-UHFFFAOYSA-N
XLogP7.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-hydroxyphenyl)-7,7-dimethyl-1,3-diphenyl-2,4,6,8-tetrahydroquinazolin-5-one
CID 162675034
3-[3,3,6,6-tetramethyl-1,8-dioxo-9-(4-phenylmethoxyphenyl)-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126081893
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773223
4-[7,7-dimethyl-2,5-dioxo-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25037018
(4S)-2-amino-1-(2-methoxyethyl)-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 126132488
(4R)-7,7-dimethyl-2-phenyl-4-(4-phenylmethoxyphenyl)-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 42548093
2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126070216
4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
CID 4285693
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
CID 57032337
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
CID 2848940
2-amino-7,7-dimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3817237
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one (CID 162664493) is 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(c1ccc(OCc3ccccc3)cc1)N(c1ccccc1)C2.
What is the InChIKey of 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is JTNPWXNTTSBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O2/c1-35(2)22-32-31(33(38)23-35)24-36(28-14-8-4-9-15-28)34(37(32)29-16-10-5-11-17-29)27-18-20-30(21-19-27)39-25-26-12-6-3-7-13-26/h3-21,34H,22-25H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one?
7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 514.67 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,3-diphenyl-2-(4-phenylmethoxyphenyl)-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162664493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).