1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea

C25H24N4O4 — CID 1437355

IUPAC1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
SMILESCOc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C25H24N4O4/c1-32-22-12-18-11-19(24(30)28-21(18)13-23(22)33-2)16-29(15-17-7-6-10-26-14-17)25(31)27-20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYYOMHAIEOIFJAS-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.17
Rot. Bonds7

About 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea

1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 1437355) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
PubChem CID1437355
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
SMILESCOc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C25H24N4O4/c1-32-22-12-18-11-19(24(30)28-21(18)13-23(22)33-2)16-29(15-17-7-6-10-26-14-17)25(31)27-20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyYYOMHAIEOIFJAS-UHFFFAOYSA-N
XLogP4.17
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea with MolForge

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Related Compounds

Cep-40783
CID 71576419
5-(6,7-Dimethoxy-quinolin-3-yl)-1H-pyridin-2-one
CID 11778521
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic acid (2-pyridine-4-ylethyl)amide
CID 9953325
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-(3-methylphenyl)urea
CID 11212549
1-[4-(6,7-Dimethoxy-quinolin-4-yloxy)-phenyl]-3-(3-methoxy-phenyl)-urea
CID 11247801
N-(4-Fluorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl}urea
CID 11270447
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]phenyl}-N'-phenylurea
CID 11292923
N-(2-Fluorophenyl)-N'-{4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}urea
CID 11305057
7-methoxy-1-methyl-2-oxo-8-pentoxy-N-(2-pyridin-4-ylethyl)quinoline-3-carboxamide
CID 11362251
8-ethoxy-7-methoxy-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-3-carboxamide
CID 23555588
1-(6-Methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-1-pyridin-3-ylmethyl-urea
CID 646408
1-[4-(6,7-Dimethoxy-quinolin-4-yloxy)-phenyl]-3-p-tolyl-urea
CID 11441787

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea (CID 1437355) is 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea is COc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is YYOMHAIEOIFJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-32-22-12-18-11-19(24(30)28-21(18)13-23(22)33-2)16-29(15-17-7-6-10-26-14-17)25(31)27-20-8-4-3-5-9-20/h3-14H,15-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea?
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 444.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1437355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).