2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine

C23H20N4O — CID 25019061

IUPAC2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
SMILESc1cncc(CNc2cccc3nc(NC4COc5ccccc54)ccc23)c1
InChIInChI=1S/C23H20N4O/c1-2-9-22-18(6-1)21(15-28-22)27-23-11-10-17-19(7-3-8-20(17)26-23)25-14-16-5-4-12-24-13-16/h1-13,21,25H,14-15H2,(H,26,27)
InChIKeyYGMZXKJRAJEASP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.79
Rot. Bonds5

About 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine

2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine (PubChem CID 25019061) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
PubChem CID25019061
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
SMILESc1cncc(CNc2cccc3nc(NC4COc5ccccc54)ccc23)c1
InChIInChI=1S/C23H20N4O/c1-2-9-22-18(6-1)21(15-28-22)27-23-11-10-17-19(7-3-8-20(17)26-23)25-14-16-5-4-12-24-13-16/h1-13,21,25H,14-15H2,(H,26,27)
InChIKeyYGMZXKJRAJEASP-UHFFFAOYSA-N
XLogP4.79
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
CID 24991201
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-N-(1H-imidazol-2-ylmethyl)quinoline-2,5-diamine
CID 67096011
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
5-(pyridin-3-ylmethylamino)naphthalen-1-ol
CID 43742968
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
1-(2,3-dihydro-1-benzofuran-3-yl)-2-pyridin-3-ylethanamine
CID 104736728
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 719910
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
CID 65024391

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine (CID 25019061) is 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine is c1cncc(CNc2cccc3nc(NC4COc5ccccc54)ccc23)c1.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
The InChIKey is YGMZXKJRAJEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-2-9-22-18(6-1)21(15-28-22)27-23-11-10-17-19(7-3-8-20(17)26-23)25-14-16-5-4-12-24-13-16/h1-13,21,25H,14-15H2,(H,26,27).
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine has a molecular weight of 368.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine is sourced from PubChem (CID 25019061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).