9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one

C24H25N5O2 — CID 135827005

IUPAC9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
SMILESCc1cc(C)c(COc2ccc(C3C4=C(CCCC4=O)Nc4nnnn43)cc2)cc1C
InChIInChI=1S/C24H25N5O2/c1-14-11-16(3)18(12-15(14)2)13-31-19-9-7-17(8-10-19)23-22-20(5-4-6-21(22)30)25-24-26-27-28-29(23)24/h7-12,23H,4-6,13H2,1-3H3,(H,25,26,28)
InChIKeyPKYSWOMCODRERO-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.20
Rot. Bonds4

About 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one

9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one (PubChem CID 135827005) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
PubChem CID135827005
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
SMILESCc1cc(C)c(COc2ccc(C3C4=C(CCCC4=O)Nc4nnnn43)cc2)cc1C
InChIInChI=1S/C24H25N5O2/c1-14-11-16(3)18(12-15(14)2)13-31-19-9-7-17(8-10-19)23-22-20(5-4-6-21(22)30)25-24-26-27-28-29(23)24/h7-12,23H,4-6,13H2,1-3H3,(H,25,26,28)
InChIKeyPKYSWOMCODRERO-UHFFFAOYSA-N
XLogP4.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one with MolForge

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Related Compounds

9-(4-prop-2-enoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135646043
9-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135826912
(9S)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135913211
9-phenyl-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135600732
9-(4-hexoxy-3-methoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135826683
9-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135826463
9-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135826647
9-(3-chloro-4,5-dimethoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135693903
(9R)-9-(2-methoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 734969
2-(4-methylphenyl)-9-(4-phenylmethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135822988
(9S)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 693592
9-(2-phenylmethoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135592011

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one (CID 135827005) is 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one is Cc1cc(C)c(COc2ccc(C3C4=C(CCCC4=O)Nc4nnnn43)cc2)cc1C.
What is the InChIKey of 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
The InChIKey is PKYSWOMCODRERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-14-11-16(3)18(12-15(14)2)13-31-19-9-7-17(8-10-19)23-22-20(5-4-6-21(22)30)25-24-26-27-28-29(23)24/h7-12,23H,4-6,13H2,1-3H3,(H,25,26,28).
What are the key properties of 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one?
9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one has a molecular weight of 415.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135827005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).