N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine

C18H19FN4 — CID 166382360

IUPACN'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1nc2ccccc2c(NCCNc2cccc(F)n2)c1C
InChIInChI=1S/C18H19FN4/c1-12-13(2)22-15-7-4-3-6-14(15)18(12)21-11-10-20-17-9-5-8-16(19)23-17/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySBVPRSMEXRBZHL-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.91
Rot. Bonds5

About N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine

N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 166382360) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
PubChem CID166382360
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC NameN'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1nc2ccccc2c(NCCNc2cccc(F)n2)c1C
InChIInChI=1S/C18H19FN4/c1-12-13(2)22-15-7-4-3-6-14(15)18(12)21-11-10-20-17-9-5-8-16(19)23-17/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySBVPRSMEXRBZHL-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
N'-(2-ethyl-3-methylquinolin-4-yl)-N-(5-fluoro-2-pyridinyl)ethane-1,2-diamine
CID 166382355
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
CID 133327888
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2,3-dimethylquinolin-4-amine
CID 133451845
6-fluoro-N-pent-3-ynylpyridin-2-amine
CID 106196296
1-[(2,3-dimethylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 75503246
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 133452088
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
CID 64597219

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine (CID 166382360) is N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine is Cc1nc2ccccc2c(NCCNc2cccc(F)n2)c1C.
What is the InChIKey of N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is SBVPRSMEXRBZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-12-13(2)22-15-7-4-3-6-14(15)18(12)21-11-10-20-17-9-5-8-16(19)23-17/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine?
N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 310.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 166382360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).