N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide

C24H22N4O3 — CID 171492268

IUPACN-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccc(C#N)cc3n2)cc1
InChIInChI=1S/C24H22N4O3/c1-16(29)26-15-17-2-5-19(6-3-17)22-13-21(24(30)28-8-10-31-11-9-28)20-7-4-18(14-25)12-23(20)27-22/h2-7,12-13H,8-11,15H2,1H3,(H,26,29)
InChIKeyOSQRXWNRQZZHQJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.88
Rot. Bonds4

About N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide

N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide (PubChem CID 171492268) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide
PubChem CID171492268
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccc(C#N)cc3n2)cc1
InChIInChI=1S/C24H22N4O3/c1-16(29)26-15-17-2-5-19(6-3-17)22-13-21(24(30)28-8-10-31-11-9-28)20-7-4-18(14-25)12-23(20)27-22/h2-7,12-13H,8-11,15H2,1H3,(H,26,29)
InChIKeyOSQRXWNRQZZHQJ-UHFFFAOYSA-N
XLogP2.88
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide with MolForge

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Related Compounds

1-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]propan-2-one;oxane;2-[4-(2-oxopropyl)phenyl]quinoline-4-carboxylic acid
CID 157235654
methyl 4-[7-cyano-4-(morpholin-4-ylmethyl)quinolin-2-yl]benzoate
CID 171492195
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
4-[[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55470649
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771

Frequently Asked Questions

What is the IUPAC name of N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide (CID 171492268) is N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccc(C#N)cc3n2)cc1.
What is the InChIKey of N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide?
The InChIKey is OSQRXWNRQZZHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-16(29)26-15-17-2-5-19(6-3-17)22-13-21(24(30)28-8-10-31-11-9-28)20-7-4-18(14-25)12-23(20)27-22/h2-7,12-13H,8-11,15H2,1H3,(H,26,29).
What are the key properties of N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide?
N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[7-cyano-4-(morpholine-4-carbonyl)quinolin-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 171492268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).