1,3,4,4-tetra(propan-2-yl)quinazolin-2-one

C20H32N2O — CID 18685234

IUPAC1,3,4,4-tetra(propan-2-yl)quinazolin-2-one
SMILESCC(C)N1C(=O)N(C(C)C)C(C(C)C)(C(C)C)c2ccccc21
InChIInChI=1S/C20H32N2O/c1-13(2)20(14(3)4)17-11-9-10-12-18(17)21(15(5)6)19(23)22(20)16(7)8/h9-16H,1-8H3
InChIKeyCXROTIFOWGJNTR-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.25
Rot. Bonds4

About 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one

1,3,4,4-tetra(propan-2-yl)quinazolin-2-one (PubChem CID 18685234) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one.

Molecular Properties

Compound Name1,3,4,4-tetra(propan-2-yl)quinazolin-2-one
PubChem CID18685234
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1,3,4,4-tetra(propan-2-yl)quinazolin-2-one
SMILESCC(C)N1C(=O)N(C(C)C)C(C(C)C)(C(C)C)c2ccccc21
InChIInChI=1S/C20H32N2O/c1-13(2)20(14(3)4)17-11-9-10-12-18(17)21(15(5)6)19(23)22(20)16(7)8/h9-16H,1-8H3
InChIKeyCXROTIFOWGJNTR-UHFFFAOYSA-N
XLogP5.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline
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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one?
The IUPAC name of 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one (CID 18685234) is 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one.
What is the SMILES notation for 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one?
The canonical SMILES for 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one is CC(C)N1C(=O)N(C(C)C)C(C(C)C)(C(C)C)c2ccccc21.
What is the InChIKey of 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one?
The InChIKey is CXROTIFOWGJNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-13(2)20(14(3)4)17-11-9-10-12-18(17)21(15(5)6)19(23)22(20)16(7)8/h9-16H,1-8H3.
What are the key properties of 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one?
1,3,4,4-tetra(propan-2-yl)quinazolin-2-one has a molecular weight of 316.49 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4-tetra(propan-2-yl)quinazolin-2-one is sourced from PubChem (CID 18685234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).