N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide

C23H32N4O3 — CID 22426993

IUPACN-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCC(C)C)cc12
InChIInChI=1S/C23H32N4O3/c1-16(2)8-9-24-22(28)6-7-23(29)25-18-4-5-20-19(15-18)17(3)14-21(26-20)27-10-12-30-13-11-27/h4-5,14-16H,6-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyJLCQDWQUTJWILS-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.26
Rot. Bonds8

About N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide

N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide (PubChem CID 22426993) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
PubChem CID22426993
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
SMILESCc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCC(C)C)cc12
InChIInChI=1S/C23H32N4O3/c1-16(2)8-9-24-22(28)6-7-23(29)25-18-4-5-20-19(15-18)17(3)14-21(26-20)27-10-12-30-13-11-27/h4-5,14-16H,6-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyJLCQDWQUTJWILS-UHFFFAOYSA-N
XLogP3.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide
CID 22426968
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
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
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'-(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
ethyl 2-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)carbamoylamino]acetate
CID 46288473
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The IUPAC name of N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide (CID 22426993) is N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide.
What is the SMILES notation for N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The canonical SMILES for N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide is Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)NCCC(C)C)cc12.
What is the InChIKey of N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
The InChIKey is JLCQDWQUTJWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16(2)8-9-24-22(28)6-7-23(29)25-18-4-5-20-19(15-18)17(3)14-21(26-20)27-10-12-30-13-11-27/h4-5,14-16H,6-13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide?
N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide has a molecular weight of 412.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N'-(4-methyl-2-morpholin-4-ylquinolin-6-yl)butanediamide is sourced from PubChem (CID 22426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).