4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine

C16H17N3O — CID 103000432

IUPAC4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
SMILESCc1ccc(CN(C)c2ccnc3cc(N)ccc23)o1
InChIInChI=1S/C16H17N3O/c1-11-3-5-13(20-11)10-19(2)16-7-8-18-15-9-12(17)4-6-14(15)16/h3-9H,10,17H2,1-2H3
InChIKeyOZDLTLXNWOXPSR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds3

About 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine

4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine (PubChem CID 103000432) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
PubChem CID103000432
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
SMILESCc1ccc(CN(C)c2ccnc3cc(N)ccc23)o1
InChIInChI=1S/C16H17N3O/c1-11-3-5-13(20-11)10-19(2)16-7-8-18-15-9-12(17)4-6-14(15)16/h3-9H,10,17H2,1-2H3
InChIKeyOZDLTLXNWOXPSR-UHFFFAOYSA-N
XLogP3.35
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000471
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231406
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
3-(aminomethyl)-N,2,6-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-4-amine
CID 81050849
4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
CID 103001497
4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
CID 103000505
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine (CID 103000432) is 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine is Cc1ccc(CN(C)c2ccnc3cc(N)ccc23)o1.
What is the InChIKey of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine?
The InChIKey is OZDLTLXNWOXPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-3-5-13(20-11)10-19(2)16-7-8-18-15-9-12(17)4-6-14(15)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine?
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine has a molecular weight of 267.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).