3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine

C22H26ClN3O2 — CID 67620324

IUPAC3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine
SMILESCOc1ccc(CC(c2ccnc3cc(Cl)ccc23)C(C)(N)CN)c(OC)c1
InChIInChI=1S/C22H26ClN3O2/c1-22(25,13-24)19(10-14-4-6-16(27-2)12-21(14)28-3)17-8-9-26-20-11-15(23)5-7-18(17)20/h4-9,11-12,19H,10,13,24-25H2,1-3H3
InChIKeyAMDSVOJTXVDRHI-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.91
Rot. Bonds7

About 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine

3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine (PubChem CID 67620324) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine
PubChem CID67620324
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine
SMILESCOc1ccc(CC(c2ccnc3cc(Cl)ccc23)C(C)(N)CN)c(OC)c1
InChIInChI=1S/C22H26ClN3O2/c1-22(25,13-24)19(10-14-4-6-16(27-2)12-21(14)28-3)17-8-9-26-20-11-15(23)5-7-18(17)20/h4-9,11-12,19H,10,13,24-25H2,1-3H3
InChIKeyAMDSVOJTXVDRHI-UHFFFAOYSA-N
XLogP3.91
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-chloroquinolin-4-yl)-2-methyl-4-(4-methylsulfanylphenyl)butane-1,2-diamine
CID 57228441
1-(7-chloroquinolin-4-yl)-2-N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 57307838
1-(7-chloroquinolin-4-yl)-2-methyl-2-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 57189647
2-[[[1-amino-1-(7-chloroquinolin-4-yl)-2-methylpropan-2-yl]amino]methyl]-6-methoxyphenol;dihydrochloride
CID 172800506
4,7-dimethoxyquinoline
CID 20743716
2-N-[(4-chlorophenyl)methyl]-1-(7-chloroquinolin-4-yl)-2-methylpropane-1,2-diamine
CID 158260964
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine?
The IUPAC name of 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine (CID 67620324) is 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine is COc1ccc(CC(c2ccnc3cc(Cl)ccc23)C(C)(N)CN)c(OC)c1.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine?
The InChIKey is AMDSVOJTXVDRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-22(25,13-24)19(10-14-4-6-16(27-2)12-21(14)28-3)17-8-9-26-20-11-15(23)5-7-18(17)20/h4-9,11-12,19H,10,13,24-25H2,1-3H3.
What are the key properties of 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine?
3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine has a molecular weight of 399.92 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)-4-(2,4-dimethoxyphenyl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 67620324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).