N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine

C24H29ClFN3O — CID 11847119

IUPACN-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine
SMILESCCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1c(F)cccc1OC
InChIInChI=1S/C24H29ClFN3O/c1-3-14-29(17-20-21(26)7-6-8-24(20)30-2)15-5-4-12-27-22-11-13-28-23-16-18(25)9-10-19(22)23/h6-11,13,16H,3-5,12,14-15,17H2,1-2H3,(H,27,28)
InChIKeyPHGNXDJTAZLWNF-UHFFFAOYSA-N
MW429.97 g/mol
LogP6.14
Rot. Bonds11

About N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine

N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine (PubChem CID 11847119) has the molecular formula C24H29ClFN3O and a molecular weight of 429.97 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine
PubChem CID11847119
Molecular FormulaC24H29ClFN3O
Molecular Weight429.97 g/mol
Exact Mass429.20
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine
SMILESCCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1c(F)cccc1OC
InChIInChI=1S/C24H29ClFN3O/c1-3-14-29(17-20-21(26)7-6-8-24(20)30-2)15-5-4-12-27-22-11-13-28-23-16-18(25)9-10-19(22)23/h6-11,13,16H,3-5,12,14-15,17H2,1-2H3,(H,27,28)
InChIKeyPHGNXDJTAZLWNF-UHFFFAOYSA-N
XLogP6.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine 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 N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine (CID 11847119) is N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine is CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1c(F)cccc1OC.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine?
The InChIKey is PHGNXDJTAZLWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O/c1-3-14-29(17-20-21(26)7-6-8-24(20)30-2)15-5-4-12-27-22-11-13-28-23-16-18(25)9-10-19(22)23/h6-11,13,16H,3-5,12,14-15,17H2,1-2H3,(H,27,28).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine?
N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine has a molecular weight of 429.97 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-[(2-fluoro-6-methoxyphenyl)methyl]-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 11847119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).