1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline

C23H23N5 — CID 11783585

IUPAC1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline
SMILESCc1ccc(CN2Cc3ccccc3N(Cn3nnc4ccccc43)C2)cc1
InChIInChI=1S/C23H23N5/c1-18-10-12-19(13-11-18)14-26-15-20-6-2-4-8-22(20)27(16-26)17-28-23-9-5-3-7-21(23)24-25-28/h2-13H,14-17H2,1H3
InChIKeyFJBUCUYJAWPAPI-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.18
Rot. Bonds4

About 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline

1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline (PubChem CID 11783585) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline.

Molecular Properties

Compound Name1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline
PubChem CID11783585
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline
SMILESCc1ccc(CN2Cc3ccccc3N(Cn3nnc4ccccc43)C2)cc1
InChIInChI=1S/C23H23N5/c1-18-10-12-19(13-11-18)14-26-15-20-6-2-4-8-22(20)27(16-26)17-28-23-9-5-3-7-21(23)24-25-28/h2-13H,14-17H2,1H3
InChIKeyFJBUCUYJAWPAPI-UHFFFAOYSA-N
XLogP4.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline?
The IUPAC name of 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline (CID 11783585) is 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline.
What is the SMILES notation for 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline?
The canonical SMILES for 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline is Cc1ccc(CN2Cc3ccccc3N(Cn3nnc4ccccc43)C2)cc1.
What is the InChIKey of 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline?
The InChIKey is FJBUCUYJAWPAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-18-10-12-19(13-11-18)14-26-15-20-6-2-4-8-22(20)27(16-26)17-28-23-9-5-3-7-21(23)24-25-28/h2-13H,14-17H2,1H3.
What are the key properties of 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline?
1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline has a molecular weight of 369.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-ylmethyl)-3-[(4-methylphenyl)methyl]-2,4-dihydroquinazoline is sourced from PubChem (CID 11783585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).