6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline

C23H16ClN5O — CID 1046837

IUPAC6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline
SMILESCOc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H16ClN5O/c1-30-18-10-8-17(9-11-18)29-23(26-27-28-29)20-14-25-21-12-7-16(24)13-19(21)22(20)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyYSRDUUMPSBWZMO-UHFFFAOYSA-N
MW413.87 g/mol
LogP5.21
Rot. Bonds4

About 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline

6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline (PubChem CID 1046837) has the molecular formula C23H16ClN5O and a molecular weight of 413.87 g/mol. Its IUPAC name is 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline.

Molecular Properties

Compound Name6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline
PubChem CID1046837
Molecular FormulaC23H16ClN5O
Molecular Weight413.87 g/mol
Exact Mass413.10
IUPAC Name6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline
SMILESCOc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H16ClN5O/c1-30-18-10-8-17(9-11-18)29-23(26-27-28-29)20-14-25-21-12-7-16(24)13-19(21)22(20)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyYSRDUUMPSBWZMO-UHFFFAOYSA-N
XLogP5.21
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.87
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline?
The IUPAC name of 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline (CID 1046837) is 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline.
What is the SMILES notation for 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline?
The canonical SMILES for 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline is COc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline?
The InChIKey is YSRDUUMPSBWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O/c1-30-18-10-8-17(9-11-18)29-23(26-27-28-29)20-14-25-21-12-7-16(24)13-19(21)22(20)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline?
6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline has a molecular weight of 413.87 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline is sourced from PubChem (CID 1046837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).