2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline

C49H48ClF4N7O2 — CID 67507900

IUPAC2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline
SMILESCc1c(-c2ccc(C(C)(C)C)cc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.Cc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)nc1
InChIInChI=1S/C33H37F2N5O2.C16H11ClF2N2/c1-21-30(22-5-7-23(8-6-22)33(2,3)4)37-27-18-24(34)17-26(35)29(27)31(21)38-28-19-25(39-9-13-41-14-10-39)20-36-32(28)40-11-15-42-16-12-40;1-8-3-4-12(20-7-8)16-9(2)15(17)14-11(19)5-10(18)6-13(14)21-16/h5-8,17-20H,9-16H2,1-4H3,(H,37,38);3-7H,1-2H3
InChIKeyQWHTZSUXUBNHIV-UHFFFAOYSA-N
MW878.42 g/mol
LogP11.44
Rot. Bonds6

About 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline

2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline (PubChem CID 67507900) has the molecular formula C49H48ClF4N7O2 and a molecular weight of 878.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline
PubChem CID67507900
Molecular FormulaC49H48ClF4N7O2
Molecular Weight878.42 g/mol
Exact Mass877.35
IUPAC Name2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline
SMILESCc1c(-c2ccc(C(C)(C)C)cc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.Cc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)nc1
InChIInChI=1S/C33H37F2N5O2.C16H11ClF2N2/c1-21-30(22-5-7-23(8-6-22)33(2,3)4)37-27-18-24(34)17-26(35)29(27)31(21)38-28-19-25(39-9-13-41-14-10-39)20-36-32(28)40-11-15-42-16-12-40;1-8-3-4-12(20-7-8)16-9(2)15(17)14-11(19)5-10(18)6-13(14)21-16/h5-8,17-20H,9-16H2,1-4H3,(H,37,38);3-7H,1-2H3
InChIKeyQWHTZSUXUBNHIV-UHFFFAOYSA-N
XLogP11.44
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.42
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline (CID 67507900) is 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline is Cc1c(-c2ccc(C(C)(C)C)cc2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.Cc1ccc(-c2nc3cc(F)cc(F)c3c(Cl)c2C)nc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline?
The InChIKey is QWHTZSUXUBNHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N5O2.C16H11ClF2N2/c1-21-30(22-5-7-23(8-6-22)33(2,3)4)37-27-18-24(34)17-26(35)29(27)31(21)38-28-19-25(39-9-13-41-14-10-39)20-36-32(28)40-11-15-42-16-12-40;1-8-3-4-12(20-7-8)16-9(2)15(17)14-11(19)5-10(18)6-13(14)21-16/h5-8,17-20H,9-16H2,1-4H3,(H,37,38);3-7H,1-2H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline?
2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline has a molecular weight of 878.42 g/mol, XLogP of 11.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-pyridinyl)quinoline is sourced from PubChem (CID 67507900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).