2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine

C24H20N4O — CID 24991201

IUPAC2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
SMILESCc1cc2cccc(Nc3ccc4c(NCc5cccnc5)cccc4n3)c2o1
InChIInChI=1S/C24H20N4O/c1-16-13-18-6-2-9-22(24(18)29-16)28-23-11-10-19-20(7-3-8-21(19)27-23)26-15-17-5-4-12-25-14-17/h2-14,26H,15H2,1H3,(H,27,28)
InChIKeyBIHAIRVTUQZJJI-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.04
Rot. Bonds5

About 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine

2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine (PubChem CID 24991201) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
PubChem CID24991201
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
SMILESCc1cc2cccc(Nc3ccc4c(NCc5cccnc5)cccc4n3)c2o1
InChIInChI=1S/C24H20N4O/c1-16-13-18-6-2-9-22(24(18)29-16)28-23-11-10-19-20(7-3-8-21(19)27-23)26-15-17-5-4-12-25-14-17/h2-14,26H,15H2,1H3,(H,27,28)
InChIKeyBIHAIRVTUQZJJI-UHFFFAOYSA-N
XLogP6.04
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
2-N-(2,3-dihydro-1-benzofuran-3-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine
CID 25019061
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428
5-(pyridin-3-ylmethylamino)naphthalen-1-ol
CID 43742968
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 719910
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919468
4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
CID 69183762
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
The IUPAC name of 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine (CID 24991201) is 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine.
What is the SMILES notation for 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
The canonical SMILES for 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine is Cc1cc2cccc(Nc3ccc4c(NCc5cccnc5)cccc4n3)c2o1.
What is the InChIKey of 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
The InChIKey is BIHAIRVTUQZJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-13-18-6-2-9-22(24(18)29-16)28-23-11-10-19-20(7-3-8-21(19)27-23)26-15-17-5-4-12-25-14-17/h2-14,26H,15H2,1H3,(H,27,28).
What are the key properties of 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine?
2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine has a molecular weight of 380.45 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-1-benzofuran-7-yl)-5-N-(pyridin-3-ylmethyl)quinoline-2,5-diamine is sourced from PubChem (CID 24991201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).