8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one

C21H25N3O5 — CID 99787084

IUPAC8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c[nH]c12
InChIInChI=1S/C21H25N3O5/c1-28-17-6-2-5-15-18(17)22-12-16(19(15)25)21(27)24-7-3-4-14(13-24)20(26)23-8-10-29-11-9-23/h2,5-6,12,14H,3-4,7-11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyDKJBFIIHTOAUJJ-CQSZACIVSA-N
MW399.45 g/mol
LogP1.25
Rot. Bonds3

About 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one

8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 99787084) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID99787084
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c[nH]c12
InChIInChI=1S/C21H25N3O5/c1-28-17-6-2-5-15-18(17)22-12-16(19(15)25)21(27)24-7-3-4-14(13-24)20(26)23-8-10-29-11-9-23/h2,5-6,12,14H,3-4,7-11,13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyDKJBFIIHTOAUJJ-CQSZACIVSA-N
XLogP1.25
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857
5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 77090270
cyclobutyl-(7-methoxy-1H-indol-3-yl)methanone
CID 82277622
3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one
CID 167789919
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110856311
[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507501
[1-(2,4-dichlorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51326639
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 99787084) is 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one is COc1cccc2c(=O)c(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)c[nH]c12.
What is the InChIKey of 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is DKJBFIIHTOAUJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-28-17-6-2-5-15-18(17)22-12-16(19(15)25)21(27)24-7-3-4-14(13-24)20(26)23-8-10-29-11-9-23/h2,5-6,12,14H,3-4,7-11,13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 399.45 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 99787084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).