7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine

C27H26ClN3 — CID 72703063

IUPAC7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine
SMILESClc1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C27H26ClN3/c28-23-10-13-25-26(14-17-31(27(25)20-23)19-18-30-15-4-5-16-30)29-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b29-26+
InChIKeyFFGZMENTXSUMBI-PBBVDAKRSA-N
MW427.98 g/mol
LogP6.29
Rot. Bonds5

About 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine

7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine (PubChem CID 72703063) has the molecular formula C27H26ClN3 and a molecular weight of 427.98 g/mol. Its IUPAC name is 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine.

Molecular Properties

Compound Name7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine
PubChem CID72703063
Molecular FormulaC27H26ClN3
Molecular Weight427.98 g/mol
Exact Mass427.18
IUPAC Name7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine
SMILESClc1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1
InChIInChI=1S/C27H26ClN3/c28-23-10-13-25-26(14-17-31(27(25)20-23)19-18-30-15-4-5-16-30)29-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b29-26+
InChIKeyFFGZMENTXSUMBI-PBBVDAKRSA-N
XLogP6.29
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine
CID 72703487
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167975019
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
2-[2-(6-chloroindol-1-yl)ethyl]-3,4,5,5a,6,7,8,9-octahydro-1H-pyrido[1,2-c][1,3]diazepine
CID 101196668
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
CID 24985235
3-[4-(4-chlorophenyl)phenyl]prop-2-ynal;1-(2-pyrrolidin-1-ylethyl)indol-5-amine
CID 143193232
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582
7-chloro-1-[3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-hydroxypropyl]quinolin-4-one
CID 139684150
4-phenyl-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]benzenesulfonamide
CID 25184428

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine?
The IUPAC name of 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine (CID 72703063) is 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine.
What is the SMILES notation for 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine?
The canonical SMILES for 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine is Clc1ccc2/c(=N/c3ccc(-c4ccccc4)cc3)ccn(CCN3CCCC3)c2c1.
What is the InChIKey of 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine?
The InChIKey is FFGZMENTXSUMBI-PBBVDAKRSA-N. The full InChI is InChI=1S/C27H26ClN3/c28-23-10-13-25-26(14-17-31(27(25)20-23)19-18-30-15-4-5-16-30)29-24-11-8-22(9-12-24)21-6-2-1-3-7-21/h1-3,6-14,17,20H,4-5,15-16,18-19H2/b29-26+.
What are the key properties of 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine?
7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine has a molecular weight of 427.98 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-phenylphenyl)-1-(2-pyrrolidin-1-ylethyl)quinolin-4-imine is sourced from PubChem (CID 72703063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).