N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine

C32H35F2N7O2 — CID 59631303

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine
SMILESCc1c(-c2ccnc(N3CCCC3)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H35F2N7O2/c1-21-30(22-4-5-35-28(16-22)40-6-2-3-7-40)37-26-18-23(33)17-25(34)29(26)31(21)38-27-19-24(39-8-12-42-13-9-39)20-36-32(27)41-10-14-43-15-11-41/h4-5,16-20H,2-3,6-15H2,1H3,(H,37,38)
InChIKeyWNKNPLDJLIGNMD-UHFFFAOYSA-N
MW587.68 g/mol
LogP5.30
Rot. Bonds6

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine (PubChem CID 59631303) has the molecular formula C32H35F2N7O2 and a molecular weight of 587.68 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine
PubChem CID59631303
Molecular FormulaC32H35F2N7O2
Molecular Weight587.68 g/mol
Exact Mass587.28
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine
SMILESCc1c(-c2ccnc(N3CCCC3)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C32H35F2N7O2/c1-21-30(22-4-5-35-28(16-22)40-6-2-3-7-40)37-26-18-23(33)17-25(34)29(26)31(21)38-27-19-24(39-8-12-42-13-9-39)20-36-32(27)41-10-14-43-15-11-41/h4-5,16-20H,2-3,6-15H2,1H3,(H,37,38)
InChIKeyWNKNPLDJLIGNMD-UHFFFAOYSA-N
XLogP5.30
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5,7-difluoro-3-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]quinoline;N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]quinolin-4-amine
CID 158328432
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
4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
CID 159171837
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-(6-methoxy-2-pyridinyl)-3-methylquinolin-4-amine
CID 50906572
2-[6-[butyl(ethyl)amino]-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
CID 163891280
1-[5-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[5-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 157376337
4-chloro-2-[6-(cyclopropylmethoxy)-3-pyridinyl]-5,7-difluoro-3-methylquinoline;2-[6-(cyclopropylmethoxy)-3-pyridinyl]-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
CID 87425941
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
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-2-pyridin-2-ylquinolin-4-amine
CID 59631128
N-[2-[3-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631562
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 66632301
methyl 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylate;methyl 4-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperazine-1-carboxylate
CID 87429233

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine (CID 59631303) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine is Cc1c(-c2ccnc(N3CCCC3)c2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine?
The InChIKey is WNKNPLDJLIGNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O2/c1-21-30(22-4-5-35-28(16-22)40-6-2-3-7-40)37-26-18-23(33)17-25(34)29(26)31(21)38-27-19-24(39-8-12-42-13-9-39)20-36-32(27)41-10-14-43-15-11-41/h4-5,16-20H,2-3,6-15H2,1H3,(H,37,38).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine has a molecular weight of 587.68 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-(2-pyrrolidin-1-yl-4-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 59631303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).