3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one

C24H30N2O3 — CID 54779127

IUPAC3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
SMILESCCC(C)N1C(=O)c2ccccc2NC1(C)c1ccccc1OCC1CCCO1
InChIInChI=1S/C24H30N2O3/c1-4-17(2)26-23(27)19-11-5-7-13-21(19)25-24(26,3)20-12-6-8-14-22(20)29-16-18-10-9-15-28-18/h5-8,11-14,17-18,25H,4,9-10,15-16H2,1-3H3
InChIKeyJCSLYMGWFRYJNY-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.78
Rot. Bonds6

About 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one

3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one (PubChem CID 54779127) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
PubChem CID54779127
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
SMILESCCC(C)N1C(=O)c2ccccc2NC1(C)c1ccccc1OCC1CCCO1
InChIInChI=1S/C24H30N2O3/c1-4-17(2)26-23(27)19-11-5-7-13-21(19)25-24(26,3)20-12-6-8-14-22(20)29-16-18-10-9-15-28-18/h5-8,11-14,17-18,25H,4,9-10,15-16H2,1-3H3
InChIKeyJCSLYMGWFRYJNY-UHFFFAOYSA-N
XLogP4.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one with MolForge

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Related Compounds

3-(3-methoxypropyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54778667
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688
3-butan-2-yl-2-ethyl-2-[4-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54779143
3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54779135
2-methyl-3-(oxolan-2-ylmethyl)-2-(2-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780423
2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777902
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762
2-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779717
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352
2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propan-2-yl-1,2-dihydroquinazolin-4-one
CID 54777891
3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54779151

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
The IUPAC name of 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one (CID 54779127) is 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
The canonical SMILES for 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one is CCC(C)N1C(=O)c2ccccc2NC1(C)c1ccccc1OCC1CCCO1.
What is the InChIKey of 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
The InChIKey is JCSLYMGWFRYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-17(2)26-23(27)19-11-5-7-13-21(19)25-24(26,3)20-12-6-8-14-22(20)29-16-18-10-9-15-28-18/h5-8,11-14,17-18,25H,4,9-10,15-16H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one?
3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one has a molecular weight of 394.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one is sourced from PubChem (CID 54779127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).