2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine

C29H28N8 — CID 102258254

IUPAC2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine
SMILESCn1ccnc1CN(Cc1ccc2cccc(Nc3cccc4cccnc34)c2n1)Cc1nccn1C
InChIInChI=1S/C29H28N8/c1-35-16-14-30-26(35)19-37(20-27-31-15-17-36(27)2)18-23-12-11-22-7-4-10-25(29(22)33-23)34-24-9-3-6-21-8-5-13-32-28(21)24/h3-17,34H,18-20H2,1-2H3
InChIKeyFYMKYSIVYNBFIO-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.20
Rot. Bonds8

About 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine

2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine (PubChem CID 102258254) has the molecular formula C29H28N8 and a molecular weight of 488.60 g/mol. Its IUPAC name is 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine.

Molecular Properties

Compound Name2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine
PubChem CID102258254
Molecular FormulaC29H28N8
Molecular Weight488.60 g/mol
Exact Mass488.24
IUPAC Name2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine
SMILESCn1ccnc1CN(Cc1ccc2cccc(Nc3cccc4cccnc34)c2n1)Cc1nccn1C
InChIInChI=1S/C29H28N8/c1-35-16-14-30-26(35)19-37(20-27-31-15-17-36(27)2)18-23-12-11-22-7-4-10-25(29(22)33-23)34-24-9-3-6-21-8-5-13-32-28(21)24/h3-17,34H,18-20H2,1-2H3
InChIKeyFYMKYSIVYNBFIO-UHFFFAOYSA-N
XLogP5.20
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102196143
N-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 58225638
N-pyridin-2-ylquinolin-8-amine
CID 82537542
3-N-(2-methylquinolin-8-yl)pyridine-2,3-diamine
CID 104540323
N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)quinolin-8-amine
CID 79953203
N-[2-[2-(aminomethyl)phenyl]phenyl]quinolin-8-amine
CID 174947176
3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
CID 47074240
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
N-methoxyquinolin-8-amine
CID 143696561

Frequently Asked Questions

What is the IUPAC name of 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine?
The IUPAC name of 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine (CID 102258254) is 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine.
What is the SMILES notation for 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine?
The canonical SMILES for 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine is Cn1ccnc1CN(Cc1ccc2cccc(Nc3cccc4cccnc34)c2n1)Cc1nccn1C.
What is the InChIKey of 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine?
The InChIKey is FYMKYSIVYNBFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8/c1-35-16-14-30-26(35)19-37(20-27-31-15-17-36(27)2)18-23-12-11-22-7-4-10-25(29(22)33-23)34-24-9-3-6-21-8-5-13-32-28(21)24/h3-17,34H,18-20H2,1-2H3.
What are the key properties of 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine?
2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine has a molecular weight of 488.60 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]-N-quinolin-8-ylquinolin-8-amine is sourced from PubChem (CID 102258254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).