N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine

C15H20ClN3 — CID 60869676

IUPACN'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H20ClN3/c1-11(2)19(9-3-7-17)15-6-8-18-14-10-12(16)4-5-13(14)15/h4-6,8,10-11H,3,7,9,17H2,1-2H3
InChIKeyNSVHHIXUJKIBRD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.45
Rot. Bonds5

About N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine

N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 60869676) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID60869676
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H20ClN3/c1-11(2)19(9-3-7-17)15-6-8-18-14-10-12(16)4-5-13(14)15/h4-6,8,10-11H,3,7,9,17H2,1-2H3
InChIKeyNSVHHIXUJKIBRD-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine with MolForge

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Related Compounds

N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911583
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 87205570
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
N'-(7-chloroquinolin-4-yl)-N'-cyclobutylethane-1,2-diamine
CID 102874825

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine (CID 60869676) is N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is NSVHHIXUJKIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(2)19(9-3-7-17)15-6-8-18-14-10-12(16)4-5-13(14)15/h4-6,8,10-11H,3,7,9,17H2,1-2H3.
What are the key properties of N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 277.80 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 60869676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).