2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine

C29H28F2N4O3S — CID 66632170

IUPAC2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine
SMILESCc1c(C2CC2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C29H28F2N4O3S/c1-17-28(19-3-4-19)34-25-14-20(30)13-23(31)27(25)29(17)33-24-15-26(35-9-11-38-12-10-35)32-16-22(24)18-5-7-21(8-6-18)39(2,36)37/h5-8,13-16,19H,3-4,9-12H2,1-2H3,(H,32,33,34)
InChIKeyFQNZJGUELKCKOJ-UHFFFAOYSA-N
MW550.63 g/mol
LogP5.74
Rot. Bonds6

About 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine

2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine (PubChem CID 66632170) has the molecular formula C29H28F2N4O3S and a molecular weight of 550.63 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine
PubChem CID66632170
Molecular FormulaC29H28F2N4O3S
Molecular Weight550.63 g/mol
Exact Mass550.19
IUPAC Name2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine
SMILESCc1c(C2CC2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C29H28F2N4O3S/c1-17-28(19-3-4-19)34-25-14-20(30)13-23(31)27(25)29(17)33-24-15-26(35-9-11-38-12-10-35)32-16-22(24)18-5-7-21(8-6-18)39(2,36)37/h5-8,13-16,19H,3-4,9-12H2,1-2H3,(H,32,33,34)
InChIKeyFQNZJGUELKCKOJ-UHFFFAOYSA-N
XLogP5.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.63
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine with MolForge

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Related Compounds

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
2-cyclopropyl-5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]-4-pyridinyl]-3-methylquinolin-4-amine
CID 123257246
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
1-[5,7-difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one
CID 66632551
5,7-difluoro-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)quinolin-4-amine
CID 66632205
tert-butyl (2R)-1-[5,7-difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]pyrrolidine-2-carboxylate
CID 66632290
[5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid
CID 66632475
azane;tert-butyl (2R)-1-[5,7-difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]pyrrolidine-2-carboxylate;(2R)-1-[5,7-difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]pyrrolidine-2-carboxylic acid
CID 158937229
4-chloro-5,7-difluoro-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methylquinoline;5,7-difluoro-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)quinolin-4-amine
CID 162218028
tert-butyl (2S)-1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)pyrrolidine-2-carboxylate;tert-butyl (2S)-1-[5,7-difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]pyrrolidine-2-carboxylate
CID 157485876
5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 158067060
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine?
The IUPAC name of 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine (CID 66632170) is 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine?
The canonical SMILES for 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine is Cc1c(C2CC2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine?
The InChIKey is FQNZJGUELKCKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N4O3S/c1-17-28(19-3-4-19)34-25-14-20(30)13-23(31)27(25)29(17)33-24-15-26(35-9-11-38-12-10-35)32-16-22(24)18-5-7-21(8-6-18)39(2,36)37/h5-8,13-16,19H,3-4,9-12H2,1-2H3,(H,32,33,34).
What are the key properties of 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine?
2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine has a molecular weight of 550.63 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-difluoro-3-methyl-N-[5-(4-methylsulfonylphenyl)-2-morpholin-4-yl-4-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 66632170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).