4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine

C19H26FN7O — CID 66822205

IUPAC4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine
SMILESCOCCNc1nc2c(C)c(F)ccc2cc1C(C)C1(C)N=C(N)NC(N)=N1
InChIInChI=1S/C19H26FN7O/c1-10-14(20)6-5-12-9-13(16(24-15(10)12)23-7-8-28-4)11(2)19(3)26-17(21)25-18(22)27-19/h5-6,9,11H,7-8H2,1-4H3,(H,23,24)(H5,21,22,25,26,27)
InChIKeyFDYJFMHILIPMTC-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.79
Rot. Bonds6

About 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine

4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 66822205) has the molecular formula C19H26FN7O and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID66822205
Molecular FormulaC19H26FN7O
Molecular Weight387.46 g/mol
Exact Mass387.22
IUPAC Name4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine
SMILESCOCCNc1nc2c(C)c(F)ccc2cc1C(C)C1(C)N=C(N)NC(N)=N1
InChIInChI=1S/C19H26FN7O/c1-10-14(20)6-5-12-9-13(16(24-15(10)12)23-7-8-28-4)11(2)19(3)26-17(21)25-18(22)27-19/h5-6,9,11H,7-8H2,1-4H3,(H,23,24)(H5,21,22,25,26,27)
InChIKeyFDYJFMHILIPMTC-UHFFFAOYSA-N
XLogP1.79
TPSA122.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine (CID 66822205) is 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine is COCCNc1nc2c(C)c(F)ccc2cc1C(C)C1(C)N=C(N)NC(N)=N1.
What is the InChIKey of 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is FDYJFMHILIPMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN7O/c1-10-14(20)6-5-12-9-13(16(24-15(10)12)23-7-8-28-4)11(2)19(3)26-17(21)25-18(22)27-19/h5-6,9,11H,7-8H2,1-4H3,(H,23,24)(H5,21,22,25,26,27).
What are the key properties of 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine?
4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 387.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[7-fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethyl]-4-methyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 66822205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).