3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine

C19H17Cl2N3 — CID 171350454

IUPAC3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine
SMILESNc1nc2cc(N3CCCC3)ccc2cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H17Cl2N3/c20-14-7-13(8-15(21)10-14)17-9-12-3-4-16(24-5-1-2-6-24)11-18(12)23-19(17)22/h3-4,7-11H,1-2,5-6H2,(H2,22,23)
InChIKeyINFUMCSVKCISIW-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.39
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine

3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine (PubChem CID 171350454) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine
PubChem CID171350454
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine
SMILESNc1nc2cc(N3CCCC3)ccc2cc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H17Cl2N3/c20-14-7-13(8-15(21)10-14)17-9-12-3-4-16(24-5-1-2-6-24)11-18(12)23-19(17)22/h3-4,7-11H,1-2,5-6H2,(H2,22,23)
InChIKeyINFUMCSVKCISIW-UHFFFAOYSA-N
XLogP5.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-piperidin-1-ylacridin-3-amine
CID 164529355
2-(2,4-dichlorophenyl)-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514462
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
6-pyrrolidin-1-ylquinazolin-4-amine
CID 20718876
1-[4-(3,5-dichlorophenoxy)phenyl]pyrrolidine
CID 168514885
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
CID 58426575
6-piperidin-1-yl-1,3-benzoxazol-2-amine
CID 11053104
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
6-pyrrolidin-1-ylquinoline-2-carboxylic acid
CID 82243885
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine (CID 171350454) is 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine is Nc1nc2cc(N3CCCC3)ccc2cc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine?
The InChIKey is INFUMCSVKCISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c20-14-7-13(8-15(21)10-14)17-9-12-3-4-16(24-5-1-2-6-24)11-18(12)23-19(17)22/h3-4,7-11H,1-2,5-6H2,(H2,22,23).
What are the key properties of 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine?
3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine has a molecular weight of 358.27 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-7-pyrrolidin-1-ylquinolin-2-amine is sourced from PubChem (CID 171350454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).