7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one

C25H30N2O — CID 162670563

IUPAC7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC(C)C1N(c2ccccc2)CC2=C(CC(C)(C)CC2=O)N1c1ccccc1
InChIInChI=1S/C25H30N2O/c1-18(2)24-26(19-11-7-5-8-12-19)17-21-22(15-25(3,4)16-23(21)28)27(24)20-13-9-6-10-14-20/h5-14,18,24H,15-17H2,1-4H3
InChIKeyQLCQRDAAKYAQRI-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.64
Rot. Bonds3

About 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one

7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one (PubChem CID 162670563) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one
PubChem CID162670563
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one
SMILESCC(C)C1N(c2ccccc2)CC2=C(CC(C)(C)CC2=O)N1c1ccccc1
InChIInChI=1S/C25H30N2O/c1-18(2)24-26(19-11-7-5-8-12-19)17-21-22(15-25(3,4)16-23(21)28)27(24)20-13-9-6-10-14-20/h5-14,18,24H,15-17H2,1-4H3
InChIKeyQLCQRDAAKYAQRI-UHFFFAOYSA-N
XLogP5.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one (CID 162670563) is 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one is CC(C)C1N(c2ccccc2)CC2=C(CC(C)(C)CC2=O)N1c1ccccc1.
What is the InChIKey of 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
The InChIKey is QLCQRDAAKYAQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-18(2)24-26(19-11-7-5-8-12-19)17-21-22(15-25(3,4)16-23(21)28)27(24)20-13-9-6-10-14-20/h5-14,18,24H,15-17H2,1-4H3.
What are the key properties of 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one?
7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one has a molecular weight of 374.53 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,3-diphenyl-2-propan-2-yl-2,4,6,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 162670563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).