6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile

C49H42ClF2N13O2 — CID 158327823

IUPAC6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(C#N)nc(N2CCOCC2)c1.N#Cc1cc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C25H21FN6O.C15H10ClFN2.C9H11N5O/c1-16-24(30-18-13-19(15-27)29-23(14-18)32-8-10-33-11-9-32)20-6-5-17(26)12-22(20)31-25(16)21-4-2-3-7-28-21;1-9-14(16)11-6-5-10(17)8-13(11)19-15(9)12-4-2-3-7-18-12;10-6-7-5-8(11)13-9(12-7)14-1-3-15-4-2-14/h2-7,12-14H,8-11H2,1H3,(H,29,30,31);2-8H,1H3;5H,1-4H2,(H2,11,12,13)
InChIKeyGPPZDWVJLDHDAN-UHFFFAOYSA-N
MW918.41 g/mol
LogP8.76
Rot. Bonds6

About 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile

6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile (PubChem CID 158327823) has the molecular formula C49H42ClF2N13O2 and a molecular weight of 918.41 g/mol. Its IUPAC name is 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile
PubChem CID158327823
Molecular FormulaC49H42ClF2N13O2
Molecular Weight918.41 g/mol
Exact Mass917.32
IUPAC Name6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(C#N)nc(N2CCOCC2)c1.N#Cc1cc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C25H21FN6O.C15H10ClFN2.C9H11N5O/c1-16-24(30-18-13-19(15-27)29-23(14-18)32-8-10-33-11-9-32)20-6-5-17(26)12-22(20)31-25(16)21-4-2-3-7-28-21;1-9-14(16)11-6-5-10(17)8-13(11)19-15(9)12-4-2-3-7-18-12;10-6-7-5-8(11)13-9(12-7)14-1-3-15-4-2-14/h2-7,12-14H,8-11H2,1H3,(H,29,30,31);2-8H,1H3;5H,1-4H2,(H2,11,12,13)
InChIKeyGPPZDWVJLDHDAN-UHFFFAOYSA-N
XLogP8.76
TPSA200.80 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500918.41
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile?
The IUPAC name of 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile (CID 158327823) is 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Cl.Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(C#N)nc(N2CCOCC2)c1.N#Cc1cc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile?
The InChIKey is GPPZDWVJLDHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O.C15H10ClFN2.C9H11N5O/c1-16-24(30-18-13-19(15-27)29-23(14-18)32-8-10-33-11-9-32)20-6-5-17(26)12-22(20)31-25(16)21-4-2-3-7-28-21;1-9-14(16)11-6-5-10(17)8-13(11)19-15(9)12-4-2-3-7-18-12;10-6-7-5-8(11)13-9(12-7)14-1-3-15-4-2-14/h2-7,12-14H,8-11H2,1H3,(H,29,30,31);2-8H,1H3;5H,1-4H2,(H2,11,12,13).
What are the key properties of 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile?
6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile has a molecular weight of 918.41 g/mol, XLogP of 8.76, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-morpholin-4-ylpyrimidine-4-carbonitrile;4-chloro-7-fluoro-3-methyl-2-pyridin-2-ylquinoline;4-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-ylpyridine-2-carbonitrile is sourced from PubChem (CID 158327823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).