5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine

C24H21ClFN5 — CID 118669054

IUPAC5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
SMILESC=C(NCc1ccc(N)nc1C)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClFN5/c1-14(29-12-18-3-4-23(27)31-15(18)2)17-5-6-28-21(11-17)8-16-7-19-10-20(25)13-30-24(19)22(26)9-16/h3-7,9-11,13,29H,1,8,12H2,2H3,(H2,27,31)
InChIKeySLCKQYIWFUFIJM-UHFFFAOYSA-N
MW433.92 g/mol
LogP5.06
Rot. Bonds6

About 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine

5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine (PubChem CID 118669054) has the molecular formula C24H21ClFN5 and a molecular weight of 433.92 g/mol. Its IUPAC name is 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
PubChem CID118669054
Molecular FormulaC24H21ClFN5
Molecular Weight433.92 g/mol
Exact Mass433.15
IUPAC Name5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
SMILESC=C(NCc1ccc(N)nc1C)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClFN5/c1-14(29-12-18-3-4-23(27)31-15(18)2)17-5-6-28-21(11-17)8-16-7-19-10-20(25)13-30-24(19)22(26)9-16/h3-7,9-11,13,29H,1,8,12H2,2H3,(H2,27,31)
InChIKeySLCKQYIWFUFIJM-UHFFFAOYSA-N
XLogP5.06
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.92
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine (CID 118669054) is 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine is C=C(NCc1ccc(N)nc1C)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine?
The InChIKey is SLCKQYIWFUFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5/c1-14(29-12-18-3-4-23(27)31-15(18)2)17-5-6-28-21(11-17)8-16-7-19-10-20(25)13-30-24(19)22(26)9-16/h3-7,9-11,13,29H,1,8,12H2,2H3,(H2,27,31).
What are the key properties of 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine?
5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine has a molecular weight of 433.92 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 118669054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).