[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine

C26H22N4 — CID 67722769

IUPAC[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
SMILESNC(c1cccc(C(N)c2ccnc3ccccc23)c1)c1ccnc2ccccc12
InChIInChI=1S/C26H22N4/c27-25(21-12-14-29-23-10-3-1-8-19(21)23)17-6-5-7-18(16-17)26(28)22-13-15-30-24-11-4-2-9-20(22)24/h1-16,25-26H,27-28H2
InChIKeyJYJOVIDMTCBZBP-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.88
Rot. Bonds4

About [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine

[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine (PubChem CID 67722769) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine.

Molecular Properties

Compound Name[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
PubChem CID67722769
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
SMILESNC(c1cccc(C(N)c2ccnc3ccccc23)c1)c1ccnc2ccccc12
InChIInChI=1S/C26H22N4/c27-25(21-12-14-29-23-10-3-1-8-19(21)23)17-6-5-7-18(16-17)26(28)22-13-15-30-24-11-4-2-9-20(22)24/h1-16,25-26H,27-28H2
InChIKeyJYJOVIDMTCBZBP-UHFFFAOYSA-N
XLogP4.88
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[amino(quinolin-4-yl)methyl]phenyl]phenyl]-quinolin-4-ylmethanamine;hydrate
CID 67722730
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
(5-methyl-3-pyridinyl)-quinolin-4-ylmethanamine
CID 105173960
(4-ethylphenyl)-quinolin-4-ylmethanamine
CID 105121771
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(4-propylphenyl)-quinolin-4-ylmethanamine
CID 105144415
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016

Frequently Asked Questions

What is the IUPAC name of [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine?
The IUPAC name of [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine (CID 67722769) is [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine.
What is the SMILES notation for [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine?
The canonical SMILES for [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine is NC(c1cccc(C(N)c2ccnc3ccccc23)c1)c1ccnc2ccccc12.
What is the InChIKey of [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine?
The InChIKey is JYJOVIDMTCBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c27-25(21-12-14-29-23-10-3-1-8-19(21)23)17-6-5-7-18(16-17)26(28)22-13-15-30-24-11-4-2-9-20(22)24/h1-16,25-26H,27-28H2.
What are the key properties of [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine?
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine has a molecular weight of 390.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine is sourced from PubChem (CID 67722769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).