1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C24H23N3O4 — CID 648191

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C24H23N3O4/c1-16-7-5-8-17-13-18(23(28)26-22(16)17)14-27(15-19-9-6-12-31-19)24(29)25-20-10-3-4-11-21(20)30-2/h3-13H,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPCYPCQVPZFXWBR-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.67
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 648191) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID648191
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C24H23N3O4/c1-16-7-5-8-17-13-18(23(28)26-22(16)17)14-27(15-19-9-6-12-31-19)24(29)25-20-10-3-4-11-21(20)30-2/h3-13H,14-15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPCYPCQVPZFXWBR-UHFFFAOYSA-N
XLogP4.67
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54679770
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 661788
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
N-(2-furylmethyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54683810
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
N-(2-methoxyphenyl)-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 13653738
N-(2-furylmethyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 2265927
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylfuran-2-carboxamide
CID 3970919
N-(2-furylmethyl)-N-(4-methylbenzyl)-N'-(2-methylphenyl)thiourea
CID 4153840
N-(2-furylmethyl)-4-[(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
CID 4167318
1-Benzyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylphenyl)thiourea
CID 4276668
1-(Furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 239709

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 648191) is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is PCYPCQVPZFXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16-7-5-8-17-13-18(23(28)26-22(16)17)14-27(15-19-9-6-12-31-19)24(29)25-20-10-3-4-11-21(20)30-2/h3-13H,14-15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 417.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 648191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).