[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate

C29H22Cl2N8O4 — CID 66939095

About [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate

[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate (PubChem CID 66939095) has the molecular formula C29H22Cl2N8O4 and a molecular weight of 617.45 g/mol. Its IUPAC name is [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate.

Molecular Properties

• Compound Name: [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
• PubChem CID: 66939095
• Molecular Formula: C29H22Cl2N8O4
• Molecular Weight: 617.45 g/mol
• Exact Mass: 616.11
• IUPAC Name: [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
• SMILES: O=C(NC(Cc1ccccc1)c1nc(-c2ccc3[nH]c(=O)cc(O)c3c2)c(Cl)[nH]1)OCc1cc(Cl)ccc1-n1cnnn1
• InChI: InChI=1S/C29H22Cl2N8O4/c30-19-7-9-23(39-15-32-37-38-39)18(11-19)14-43-29(42)34-22(10-16-4-2-1-3-5-16)28-35-26(27(31)36-28)17-6-8-21-20(12-17)24(40)13-25(41)33-21/h1-9,11-13,15,22H,10,14H2,(H,34,42)(H,35,36)(H2,33,40,41)
• InChIKey: RDWRYMBZPJXOEO-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 163.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.45
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?

The IUPAC name of [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate (CID 66939095) is [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate.

What is the SMILES notation for [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?

The canonical SMILES for [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate is O=C(NC(Cc1ccccc1)c1nc(-c2ccc3[nH]c(=O)cc(O)c3c2)c(Cl)[nH]1)OCc1cc(Cl)ccc1-n1cnnn1.

What is the InChIKey of [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?

The InChIKey is RDWRYMBZPJXOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Cl2N8O4/c30-19-7-9-23(39-15-32-37-38-39)18(11-19)14-43-29(42)34-22(10-16-4-2-1-3-5-16)28-35-26(27(31)36-28)17-6-8-21-20(12-17)24(40)13-25(41)33-21/h1-9,11-13,15,22H,10,14H2,(H,34,42)(H,35,36)(H2,33,40,41).

What are the key properties of [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?

[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate has a molecular weight of 617.45 g/mol, XLogP of 5.12, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 66939095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).