5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine

C23H20F2N6O — CID 56591659

IUPAC5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C23H20F2N6O/c1-14-21(17-4-2-3-6-26-17)28-18-13-15(24)12-16(25)20(18)22(14)29-19-5-7-27-23(30-19)31-8-10-32-11-9-31/h2-7,12-13H,8-11H2,1H3,(H,27,28,29,30)
InChIKeyUERUGHGRCQCPMG-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.25
Rot. Bonds4

About 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56591659) has the molecular formula C23H20F2N6O and a molecular weight of 434.45 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
PubChem CID56591659
Molecular FormulaC23H20F2N6O
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Name5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C23H20F2N6O/c1-14-21(17-4-2-3-6-26-17)28-18-13-15(24)12-16(25)20(18)22(14)29-19-5-7-27-23(30-19)31-8-10-32-11-9-31/h2-7,12-13H,8-11H2,1H3,(H,27,28,29,30)
InChIKeyUERUGHGRCQCPMG-UHFFFAOYSA-N
XLogP4.25
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 66632104
N-[5-(1,1-dihydroxythian-4-yl)-2-morpholin-4-yl-4-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 89485351
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate;ethyl 4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 159107214
5,7-difluoro-3-methyl-N-[5-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
CID 66632153
N-[2-[3-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631562
3-N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-N-(3-methoxypropyl)-2-N-methyl-5-morpholin-4-ylpyridine-2,3-diamine
CID 50906989
4-chloro-6-morpholin-4-ylpyridin-2-amine;N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157064929
N-(3-bromophenyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631259
4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66632404
4-chloro-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
CID 157054036
N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid
CID 159291146

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine (CID 56591659) is 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1ccnc(N2CCOCC2)n1.
What is the InChIKey of 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UERUGHGRCQCPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O/c1-14-21(17-4-2-3-6-26-17)28-18-13-15(24)12-16(25)20(18)22(14)29-19-5-7-27-23(30-19)31-8-10-32-11-9-31/h2-7,12-13H,8-11H2,1H3,(H,27,28,29,30).
What are the key properties of 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 434.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56591659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).