N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide

C23H25ClN4O4 — CID 10298033

IUPACN-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide
SMILESCCOc1nc(CN2CCOCC2)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c12
InChIInChI=1S/C23H25ClN4O4/c1-2-32-23-20-18(11-17(27-23)14-28-7-9-31-10-8-28)21(29)19(13-25-20)22(30)26-12-15-3-5-16(24)6-4-15/h3-6,11,13H,2,7-10,12,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyNPKYYWCJORPHBA-UHFFFAOYSA-N
MW456.93 g/mol
LogP2.74
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide (PubChem CID 10298033) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide
PubChem CID10298033
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC NameN-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide
SMILESCCOc1nc(CN2CCOCC2)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c12
InChIInChI=1S/C23H25ClN4O4/c1-2-32-23-20-18(11-17(27-23)14-28-7-9-31-10-8-28)21(29)19(13-25-20)22(30)26-12-15-3-5-16(24)6-4-15/h3-6,11,13H,2,7-10,12,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyNPKYYWCJORPHBA-UHFFFAOYSA-N
XLogP2.74
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
CID 139979679
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006
N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-pyrido[3,4-c]pyridazin-3-yl]acetamide
CID 139979790
N-[(4-chlorophenyl)methyl]-2,6-bis(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
CID 46887489
N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
CID 5277713
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 22397240
N-[(4-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carboxamide
CID 18698574
CID 159787335
CID 159787335
N-[(4-chlorophenyl)methyl]-2-(1,3-dihydroxypropan-2-yl)-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
CID 10279169
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide (CID 10298033) is N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide is CCOc1nc(CN2CCOCC2)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[nH]c12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
The InChIKey is NPKYYWCJORPHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-2-32-23-20-18(11-17(27-23)14-28-7-9-31-10-8-28)21(29)19(13-25-20)22(30)26-12-15-3-5-16(24)6-4-15/h3-6,11,13H,2,7-10,12,14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-8-ethoxy-6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 10298033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).