5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine

C18H12ClFN4O — CID 150801526

IUPAC5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine
SMILESCc1ccnc2c(Cl)cc(-c3cnc(N)nc3-c3ccc(F)o3)cc12
InChIInChI=1S/C18H12ClFN4O/c1-9-4-5-22-16-11(9)6-10(7-13(16)19)12-8-23-18(21)24-17(12)14-2-3-15(20)25-14/h2-8H,1H3,(H2,21,23,24)
InChIKeyKFYSPJJFBPGTIV-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.63
Rot. Bonds2

About 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine

5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine (PubChem CID 150801526) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine
PubChem CID150801526
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine
SMILESCc1ccnc2c(Cl)cc(-c3cnc(N)nc3-c3ccc(F)o3)cc12
InChIInChI=1S/C18H12ClFN4O/c1-9-4-5-22-16-11(9)6-10(7-13(16)19)12-8-23-18(21)24-17(12)14-2-3-15(20)25-14/h2-8H,1H3,(H2,21,23,24)
InChIKeyKFYSPJJFBPGTIV-UHFFFAOYSA-N
XLogP4.63
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(furan-2-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 45261668
N-[4-[2-amino-6-(furan-2-yl)pyrimidin-4-yl]phenyl]-7-chloroquinolin-4-amine
CID 42632166
N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-((ethylamino)methyl)-2-furyl)-4-quinazolinamine
CID 90196921
6-(3-chlorophenyl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 44223943
(e)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)-3-(pyridin-3-yl)acrylamide
CID 168432050
(e)-3-(6-aminopyridin-3-yl)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)acrylamide
CID 168432056
(e)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)-N-methyl-3-(pyridin-3-yl)acrylamide
CID 168432057
(e)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)-N-ethyl-3-(pyridin-3-yl)acrylamide
CID 168432065
(e)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)-N-isopropyl-3-(pyridin-3-yl)acrylamide
CID 168432071
(e)-N-((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-yl)methyl)-N-propyl-3-(pyridin-3-yl)acrylamide
CID 168432073
3-Fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline
CID 10427590
N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine
CID 11245154

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine (CID 150801526) is 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine is Cc1ccnc2c(Cl)cc(-c3cnc(N)nc3-c3ccc(F)o3)cc12.
What is the InChIKey of 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine?
The InChIKey is KFYSPJJFBPGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c1-9-4-5-22-16-11(9)6-10(7-13(16)19)12-8-23-18(21)24-17(12)14-2-3-15(20)25-14/h2-8H,1H3,(H2,21,23,24).
What are the key properties of 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine?
5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine has a molecular weight of 354.77 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloro-4-methylquinolin-6-yl)-4-(5-fluorofuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 150801526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).