1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine

C28H37N3 — CID 89398882

IUPAC1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc(C)cc2)nc2ccc(C)cc12
InChIInChI=1S/C28H37N3/c1-6-31(7-2)18-8-9-23(5)29-28-20-25(16-15-24-13-10-21(3)11-14-24)30-27-17-12-22(4)19-26(27)28/h10-17,19-20,23H,6-9,18H2,1-5H3,(H,29,30)/b16-15+
InChIKeyILVUPUCXVXSQPY-FOCLMDBBSA-N
MW415.63 g/mol
LogP6.94
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine (PubChem CID 89398882) has the molecular formula C28H37N3 and a molecular weight of 415.63 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
PubChem CID89398882
Molecular FormulaC28H37N3
Molecular Weight415.63 g/mol
Exact Mass415.30
IUPAC Name1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc(C)cc2)nc2ccc(C)cc12
InChIInChI=1S/C28H37N3/c1-6-31(7-2)18-8-9-23(5)29-28-20-25(16-15-24-13-10-21(3)11-14-24)30-27-17-12-22(4)19-26(27)28/h10-17,19-20,23H,6-9,18H2,1-5H3,(H,29,30)/b16-15+
InChIKeyILVUPUCXVXSQPY-FOCLMDBBSA-N
XLogP6.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.63
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine with MolForge

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Related Compounds

4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 89398881
4-N-[2-[2-(2-bromophenyl)ethenyl]-7-chloroquinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 74943744
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
(4R)-4-N-[7-chloro-2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CID 91826837
4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 14668185
4-N-[(2S)-5-(diethylamino)pentan-2-yl]quinoline-4,6-diamine
CID 129362155
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 22210394
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
4-N-(2-chloro-4-methylbenzo[c][2,7]naphthyridin-5-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 15946061
4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 127027357

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine (CID 89398882) is 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc(C)cc2)nc2ccc(C)cc12.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine?
The InChIKey is ILVUPUCXVXSQPY-FOCLMDBBSA-N. The full InChI is InChI=1S/C28H37N3/c1-6-31(7-2)18-8-9-23(5)29-28-20-25(16-15-24-13-10-21(3)11-14-24)30-27-17-12-22(4)19-26(27)28/h10-17,19-20,23H,6-9,18H2,1-5H3,(H,29,30)/b16-15+.
What are the key properties of 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine has a molecular weight of 415.63 g/mol, XLogP of 6.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-4-yl]pentane-1,4-diamine is sourced from PubChem (CID 89398882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).