7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline

C35H27ClN6O2 — CID 70341447

IUPAC7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
SMILESCOc1cccc(C(c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n2ccc3cccc(OCn4cnnn4)c32)c1
InChIInChI=1S/C35H27ClN6O2/c1-43-31-9-3-8-28(20-31)34(42-18-17-26-6-4-10-33(35(26)42)44-23-41-22-37-39-40-41)27-7-2-5-24(19-27)11-15-30-16-13-25-12-14-29(36)21-32(25)38-30/h2-22,34H,23H2,1H3/b15-11+
InChIKeyQETPDNVWPGWOHX-RVDMUPIBSA-N
MW599.09 g/mol
LogP7.68
Rot. Bonds9

About 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline

7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline (PubChem CID 70341447) has the molecular formula C35H27ClN6O2 and a molecular weight of 599.09 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
PubChem CID70341447
Molecular FormulaC35H27ClN6O2
Molecular Weight599.09 g/mol
Exact Mass598.19
IUPAC Name7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
SMILESCOc1cccc(C(c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n2ccc3cccc(OCn4cnnn4)c32)c1
InChIInChI=1S/C35H27ClN6O2/c1-43-31-9-3-8-28(20-31)34(42-18-17-26-6-4-10-33(35(26)42)44-23-41-22-37-39-40-41)27-7-2-5-24(19-27)11-15-30-16-13-25-12-14-29(36)21-32(25)38-30/h2-22,34H,23H2,1H3/b15-11+
InChIKeyQETPDNVWPGWOHX-RVDMUPIBSA-N
XLogP7.68
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.09
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline (CID 70341447) is 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline is COc1cccc(C(c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n2ccc3cccc(OCn4cnnn4)c32)c1.
What is the InChIKey of 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The InChIKey is QETPDNVWPGWOHX-RVDMUPIBSA-N. The full InChI is InChI=1S/C35H27ClN6O2/c1-43-31-9-3-8-28(20-31)34(42-18-17-26-6-4-10-33(35(26)42)44-23-41-22-37-39-40-41)27-7-2-5-24(19-27)11-15-30-16-13-25-12-14-29(36)21-32(25)38-30/h2-22,34H,23H2,1H3/b15-11+.
What are the key properties of 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline has a molecular weight of 599.09 g/mol, XLogP of 7.68, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-[3-[(3-methoxyphenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 70341447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).