1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea

C24H29N4O4+ — CID 6970130

IUPAC1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea
SMILESCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C24H28N4O4/c1-31-21-7-8-22-18(16-21)15-19(23(29)26-22)17-28(10-9-27-11-13-32-14-12-27)24(30)25-20-5-3-2-4-6-20/h2-8,15-16H,9-14,17H2,1H3,(H,25,30)(H,26,29)/p+1
InChIKeyAIAIMNMRRNEVSE-UHFFFAOYSA-O
MW437.52 g/mol
LogP1.49
Rot. Bonds7

About 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea

1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea (PubChem CID 6970130) has the molecular formula C24H29N4O4+ and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea
PubChem CID6970130
Molecular FormulaC24H29N4O4+
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea
SMILESCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C24H28N4O4/c1-31-21-7-8-22-18(16-21)15-19(23(29)26-22)17-28(10-9-27-11-13-32-14-12-27)24(30)25-20-5-3-2-4-6-20/h2-8,15-16H,9-14,17H2,1H3,(H,25,30)(H,26,29)/p+1
InChIKeyAIAIMNMRRNEVSE-UHFFFAOYSA-O
XLogP1.49
TPSA88.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430675
1-[3-(dimethylamino)propyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 655825
1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylthiourea
CID 1138312
3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1170552
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[2-(3-methylphenyl)ethyl]urea
CID 1430673
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430936
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
CID 1430887
1-[3-(diethylamino)propyl]-3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 654411
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 6970121
1-[2-(dimethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 3194715
3-(3-chlorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]urea
CID 1430695

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea?
The IUPAC name of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea (CID 6970130) is 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea.
What is the SMILES notation for 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea?
The canonical SMILES for 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea is COc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea?
The InChIKey is AIAIMNMRRNEVSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N4O4/c1-31-21-7-8-22-18(16-21)15-19(23(29)26-22)17-28(10-9-27-11-13-32-14-12-27)24(30)25-20-5-3-2-4-6-20/h2-8,15-16H,9-14,17H2,1H3,(H,25,30)(H,26,29)/p+1.
What are the key properties of 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea?
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea has a molecular weight of 437.52 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenylurea is sourced from PubChem (CID 6970130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).