N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine

C26H22N4 — CID 67723222

IUPACN-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
SMILESc1ccc(CNc2ccnc3ccccc23)c(CNc2ccnc3ccccc23)c1
InChIInChI=1S/C26H22N4/c1-2-8-20(18-30-26-14-16-28-24-12-6-4-10-22(24)26)19(7-1)17-29-25-13-15-27-23-11-5-3-9-21(23)25/h1-16H,17-18H2,(H,27,29)(H,28,30)
InChIKeyVOGIVAAALTWYOL-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.01
Rot. Bonds6

About N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine

N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine (PubChem CID 67723222) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
PubChem CID67723222
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC NameN-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
SMILESc1ccc(CNc2ccnc3ccccc23)c(CNc2ccnc3ccccc23)c1
InChIInChI=1S/C26H22N4/c1-2-8-20(18-30-26-14-16-28-24-12-6-4-10-22(24)26)19(7-1)17-29-25-13-15-27-23-11-5-3-9-21(23)25/h1-16H,17-18H2,(H,27,29)(H,28,30)
InChIKeyVOGIVAAALTWYOL-UHFFFAOYSA-N
XLogP6.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(isoquinolin-4-ylmethyl)quinolin-4-amine
CID 174877636
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine
CID 62227376
N-ethylquinolin-4-amine
CID 15306588
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinolin-4-amine
CID 56707589
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
N-[[3-(chloromethyl)phenyl]methyl]quinolin-4-amine
CID 65028486

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine (CID 67723222) is N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine is c1ccc(CNc2ccnc3ccccc23)c(CNc2ccnc3ccccc23)c1.
What is the InChIKey of N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is VOGIVAAALTWYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-2-8-20(18-30-26-14-16-28-24-12-6-4-10-22(24)26)19(7-1)17-29-25-13-15-27-23-11-5-3-9-21(23)25/h1-16H,17-18H2,(H,27,29)(H,28,30).
What are the key properties of N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine?
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 67723222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).