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

C22H24ClN3O3 — CID 18473146

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H23N3O3.ClH/c26-21-18-6-1-2-7-20(18)23-14-19(21)22(27)24-13-16-4-3-5-17(12-16)15-25-8-10-28-11-9-25;/h1-7,12,14H,8-11,13,15H2,(H,23,26)(H,24,27);1H
InChIKeyLLEIPBVCAQGLBV-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.71
Rot. Bonds5

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

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 18473146) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID18473146
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C22H23N3O3.ClH/c26-21-18-6-1-2-7-20(18)23-14-19(21)22(27)24-13-16-4-3-5-17(12-16)15-25-8-10-28-11-9-25;/h1-7,12,14H,8-11,13,15H2,(H,23,26)(H,24,27);1H
InChIKeyLLEIPBVCAQGLBV-UHFFFAOYSA-N
XLogP2.71
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-oxoisochromene-3-carboxamide
CID 91653338
N-[3-(1H-indol-3-yl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55970141
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
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 18473146) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is LLEIPBVCAQGLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.ClH/c26-21-18-6-1-2-7-20(18)23-14-19(21)22(27)24-13-16-4-3-5-17(12-16)15-25-8-10-28-11-9-25;/h1-7,12,14H,8-11,13,15H2,(H,23,26)(H,24,27);1H.
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 18473146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).