4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine

C24H25ClN6 — CID 71737092

IUPAC4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nccc(NCc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)n1
InChIInChI=1S/C24H25ClN6/c1-3-31(4-2)24-27-14-12-23(30-24)28-16-17-5-8-19(9-6-17)29-21-11-13-26-22-15-18(25)7-10-20(21)22/h5-15H,3-4,16H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyUOQWJRVCATUZSW-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.88
Rot. Bonds8

About 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine

4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine (PubChem CID 71737092) has the molecular formula C24H25ClN6 and a molecular weight of 432.96 g/mol. Its IUPAC name is 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine
PubChem CID71737092
Molecular FormulaC24H25ClN6
Molecular Weight432.96 g/mol
Exact Mass432.18
IUPAC Name4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nccc(NCc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)n1
InChIInChI=1S/C24H25ClN6/c1-3-31(4-2)24-27-14-12-23(30-24)28-16-17-5-8-19(9-6-17)29-21-11-13-26-22-15-18(25)7-10-20(21)22/h5-15H,3-4,16H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyUOQWJRVCATUZSW-UHFFFAOYSA-N
XLogP5.88
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
N-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-7-chloroquinolin-4-amine
CID 68634794
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-[2-(diethylamino)ethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 51041051
N-(4-chlorophenyl)-6-ethylquinolin-4-amine
CID 53264796
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
4-[[4-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]methyl]-N,N-diethylbenzamide
CID 19760346
2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
CID 67359465
4-N-(7-chloroquinolin-4-yl)-1-N-[[4-(diethylamino)phenyl]methyl]cyclohexane-1,4-diamine;trihydrochloride
CID 70199593
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
2-N,2-N-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890009
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine (CID 71737092) is 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1nccc(NCc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)n1.
What is the InChIKey of 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine?
The InChIKey is UOQWJRVCATUZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6/c1-3-31(4-2)24-27-14-12-23(30-24)28-16-17-5-8-19(9-6-17)29-21-11-13-26-22-15-18(25)7-10-20(21)22/h5-15H,3-4,16H2,1-2H3,(H,26,29)(H,27,28,30).
What are the key properties of 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine?
4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine has a molecular weight of 432.96 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-[(7-chloroquinolin-4-yl)amino]phenyl]methyl]-2-N,2-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 71737092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).