N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide

C22H31N5O3 — CID 22426968

IUPACN-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCN(C)C)cc12
InChIInChI=1S/C22H31N5O3/c1-16-14-20(27-10-12-30-13-11-27)25-19-5-4-17(15-18(16)19)24-22(29)7-6-21(28)23-8-9-26(2)3/h4-5,14-15H,6-13H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyPOSGEWUKBZICGB-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.78
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide

N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide (PubChem CID 22426968) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
PubChem CID22426968
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCN(C)C)cc12
InChIInChI=1S/C22H31N5O3/c1-16-14-20(27-10-12-30-13-11-27)25-19-5-4-17(15-18(16)19)24-22(29)7-6-21(28)23-8-9-26(2)3/h4-5,14-15H,6-13H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyPOSGEWUKBZICGB-UHFFFAOYSA-N
XLogP1.78
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426993
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
CID 22427825
4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 15997126
2-ethyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanamide
CID 46364051
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
N'-(2-ethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426976
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 22426962
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288486
N'-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanediamide
CID 22334469

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide (CID 22426968) is N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCN(C)C)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The InChIKey is POSGEWUKBZICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-16-14-20(27-10-12-30-13-11-27)25-19-5-4-17(15-18(16)19)24-22(29)7-6-21(28)23-8-9-26(2)3/h4-5,14-15H,6-13H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide has a molecular weight of 413.52 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide is sourced from PubChem (CID 22426968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).