3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

C23H20FN3O4 — CID 1430788

IUPAC3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H20FN3O4/c1-30-19-9-4-15-11-16(22(28)26-21(15)12-19)13-27(14-20-3-2-10-31-20)23(29)25-18-7-5-17(24)6-8-18/h2-12H,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyPAHMXVLDHDIPAO-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.50
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1430788) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1430788
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H20FN3O4/c1-30-19-9-4-15-11-16(22(28)26-21(15)12-19)13-27(14-20-3-2-10-31-20)23(29)25-18-7-5-17(24)6-8-18/h2-12H,13-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyPAHMXVLDHDIPAO-UHFFFAOYSA-N
XLogP4.50
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

3-(4-fluorophenyl)-1-(3-hydroxypropyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 5014815
3-(2-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1430604
1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 1140378
1-[(4-fluorophenyl)methyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430675
N-(furan-2-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459061
3-(4-fluorophenyl)-1-(2-hydroxyethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1137547
1-(furan-2-ylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 1138001
3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1430710
1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3169347
1-[3-(diethylamino)propyl]-3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 654411
3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
CID 1462403
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylfuran-2-carboxamide
CID 1421969

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1430788) is 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is PAHMXVLDHDIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-30-19-9-4-15-11-16(22(28)26-21(15)12-19)13-27(14-20-3-2-10-31-20)23(29)25-18-7-5-17(24)6-8-18/h2-12H,13-14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 421.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1430788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).