3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione

C28H28N6O3 — CID 139608404

IUPAC3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione
SMILESCCCCn1c(=O)c2ccc(C)c(OC)c2n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1=O
InChIInChI=1S/C28H28N6O3/c1-4-5-16-33-27(35)23-15-10-18(2)25(37-3)24(23)34(28(33)36)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)26-29-31-32-30-26/h6-15H,4-5,16-17H2,1-3H3,(H,29,30,31,32)
InChIKeyQGCHOJPSMRRJQZ-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.18
Rot. Bonds8

About 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione

3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione (PubChem CID 139608404) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione
PubChem CID139608404
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione
SMILESCCCCn1c(=O)c2ccc(C)c(OC)c2n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1=O
InChIInChI=1S/C28H28N6O3/c1-4-5-16-33-27(35)23-15-10-18(2)25(37-3)24(23)34(28(33)36)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)26-29-31-32-30-26/h6-15H,4-5,16-17H2,1-3H3,(H,29,30,31,32)
InChIKeyQGCHOJPSMRRJQZ-UHFFFAOYSA-N
XLogP4.18
TPSA107.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

2-butyl-6,7,8-trimethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 131873108
3-(2-methoxyethyl)-8-pentyl-1-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54113305
3,8-dimethyl-1-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54373064
1,8-dimethyl-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54120896
8-pentyl-1,3-bis(2-phenylethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54374908
8-pentyl-1-(2-phenylethyl)-3-propyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54399430
2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
CID 24827899
1-ethyl-8-methyl-3-(2-phenylethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54229039
4-butyl-5-fluoro-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741229
8-cyclohexyl-1,3-dipropyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54567126
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
CID 19087824
3-(2-phenylethyl)-1,8-dipropyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911445

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione (CID 139608404) is 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione is CCCCn1c(=O)c2ccc(C)c(OC)c2n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1=O.
What is the InChIKey of 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione?
The InChIKey is QGCHOJPSMRRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-4-5-16-33-27(35)23-15-10-18(2)25(37-3)24(23)34(28(33)36)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)26-29-31-32-30-26/h6-15H,4-5,16-17H2,1-3H3,(H,29,30,31,32).
What are the key properties of 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione?
3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione has a molecular weight of 496.57 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-methoxy-7-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 139608404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).