7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline

C29H31N7O — CID 142817806

IUPAC7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline
SMILESCOc1ccc(C(c2cncn2C)C2(C)C=C3C(=CC2)N(C)c2nnnn2C3c2cccc(C)c2)cc1
InChIInChI=1S/C29H31N7O/c1-19-7-6-8-21(15-19)27-23-16-29(2,14-13-24(23)35(4)28-31-32-33-36(27)28)26(25-17-30-18-34(25)3)20-9-11-22(37-5)12-10-20/h6-13,15-18,26-27H,14H2,1-5H3
InChIKeyFNLFXJIHXZUXQC-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.82
Rot. Bonds5

About 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline

7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline (PubChem CID 142817806) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline
PubChem CID142817806
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline
SMILESCOc1ccc(C(c2cncn2C)C2(C)C=C3C(=CC2)N(C)c2nnnn2C3c2cccc(C)c2)cc1
InChIInChI=1S/C29H31N7O/c1-19-7-6-8-21(15-19)27-23-16-29(2,14-13-24(23)35(4)28-31-32-33-36(27)28)26(25-17-30-18-34(25)3)20-9-11-22(37-5)12-10-20/h6-13,15-18,26-27H,14H2,1-5H3
InChIKeyFNLFXJIHXZUXQC-UHFFFAOYSA-N
XLogP4.82
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline?
The IUPAC name of 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline (CID 142817806) is 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline.
What is the SMILES notation for 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline?
The canonical SMILES for 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline is COc1ccc(C(c2cncn2C)C2(C)C=C3C(=CC2)N(C)c2nnnn2C3c2cccc(C)c2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline?
The InChIKey is FNLFXJIHXZUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-19-7-6-8-21(15-19)27-23-16-29(2,14-13-24(23)35(4)28-31-32-33-36(27)28)26(25-17-30-18-34(25)3)20-9-11-22(37-5)12-10-20/h6-13,15-18,26-27H,14H2,1-5H3.
What are the key properties of 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline?
7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline has a molecular weight of 493.62 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-4,7-dimethyl-9-(3-methylphenyl)-6,9-dihydrotetrazolo[5,1-b]quinazoline is sourced from PubChem (CID 142817806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).