3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea

C25H23N7O — CID 1459393

About 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea

3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 1459393) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea
• PubChem CID: 1459393
• Molecular Formula: C25H23N7O
• Molecular Weight: 437.51 g/mol
• Exact Mass: 437.20
• IUPAC Name: 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea
• SMILES: Cc1cccc(NC(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3n3nnnc23)c1
• InChI: InChI=1S/C25H23N7O/c1-17-5-3-7-22(12-17)27-25(33)31(15-19-6-4-10-26-14-19)16-21-13-20-11-18(2)8-9-23(20)32-24(21)28-29-30-32/h3-14H,15-16H2,1-2H3,(H,27,33)
• InChIKey: RWRAWILENWXHCQ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.51
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The IUPAC name of 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 1459393) is 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea is Cc1cccc(NC(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3n3nnnc23)c1.

What is the InChIKey of 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The InChIKey is RWRAWILENWXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-17-5-3-7-22(12-17)27-25(33)31(15-19-6-4-10-26-14-19)16-21-13-20-11-18(2)8-9-23(20)32-24(21)28-29-30-32/h3-14H,15-16H2,1-2H3,(H,27,33).

What are the key properties of 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 437.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1459393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).