6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

C22H22ClN3O3 — CID 18473163

IUPAC6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H22ClN3O3/c23-17-4-5-20-18(11-17)21(27)19(13-24-20)22(28)25-12-15-2-1-3-16(10-15)14-26-6-8-29-9-7-26/h1-5,10-11,13H,6-9,12,14H2,(H,24,27)(H,25,28)
InChIKeyDLKTWXATXVUTAY-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.94
Rot. Bonds5

About 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473163) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473163
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C22H22ClN3O3/c23-17-4-5-20-18(11-17)21(27)19(13-24-20)22(28)25-12-15-2-1-3-16(10-15)14-26-6-8-29-9-7-26/h1-5,10-11,13H,6-9,12,14H2,(H,24,27)(H,25,28)
InChIKeyDLKTWXATXVUTAY-UHFFFAOYSA-N
XLogP2.94
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
2,4-dichloro-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571030
N-[3-(4-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propyl]-6-(morpholin-4-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 70202371
3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 142006200
4-chloro-N-[3-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55814806
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
1-(3-chlorophenyl)-5-ethyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55814229
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 18473163) is 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DLKTWXATXVUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-17-4-5-20-18(11-17)21(27)19(13-24-20)22(28)25-12-15-2-1-3-16(10-15)14-26-6-8-29-9-7-26/h1-5,10-11,13H,6-9,12,14H2,(H,24,27)(H,25,28).
What are the key properties of 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).