4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine

C32H35F2N3O — CID 143401739

IUPAC4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1c(Cc2ccccc2)c(N2CCOCC2)nc2ccccc12)c1cc(F)cc(F)c1
InChIInChI=1S/C32H35F2N3O/c1-36(2)13-12-24(25-19-26(33)22-27(34)20-25)21-29-28-10-6-7-11-31(28)35-32(37-14-16-38-17-15-37)30(29)18-23-8-4-3-5-9-23/h3-11,19-20,22,24H,12-18,21H2,1-2H3
InChIKeyKMDFLBDBAZUZPS-UHFFFAOYSA-N
MW515.65 g/mol
LogP6.22
Rot. Bonds9

About 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine

4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine (PubChem CID 143401739) has the molecular formula C32H35F2N3O and a molecular weight of 515.65 g/mol. Its IUPAC name is 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
PubChem CID143401739
Molecular FormulaC32H35F2N3O
Molecular Weight515.65 g/mol
Exact Mass515.27
IUPAC Name4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCC(Cc1c(Cc2ccccc2)c(N2CCOCC2)nc2ccccc12)c1cc(F)cc(F)c1
InChIInChI=1S/C32H35F2N3O/c1-36(2)13-12-24(25-19-26(33)22-27(34)20-25)21-29-28-10-6-7-11-31(28)35-32(37-14-16-38-17-15-37)30(29)18-23-8-4-3-5-9-23/h3-11,19-20,22,24H,12-18,21H2,1-2H3
InChIKeyKMDFLBDBAZUZPS-UHFFFAOYSA-N
XLogP6.22
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine with MolForge

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Related Compounds

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CID 230710
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(3,5-Dimethyl-adamantan-1-yl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 3304180
4-Phenanthridin-6-ylmorpholine
CID 823944
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 44286463
2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-ethanol
CID 44287078
4-Ethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline
CID 44304233
8-Methyl-2-morpholinoquinoline-3-carbonitrile
CID 865258
6-Piperidin-1-yl-phenanthridine
CID 2853903
2-(2-Morpholin-4-yl-quinolin-3-ylmethylene)-malononitrile
CID 921753

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine (CID 143401739) is 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine is CN(C)CCC(Cc1c(Cc2ccccc2)c(N2CCOCC2)nc2ccccc12)c1cc(F)cc(F)c1.
What is the InChIKey of 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
The InChIKey is KMDFLBDBAZUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N3O/c1-36(2)13-12-24(25-19-26(33)22-27(34)20-25)21-29-28-10-6-7-11-31(28)35-32(37-14-16-38-17-15-37)30(29)18-23-8-4-3-5-9-23/h3-11,19-20,22,24H,12-18,21H2,1-2H3.
What are the key properties of 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine?
4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine has a molecular weight of 515.65 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 143401739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).