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

C25H29N3O6 — CID 651956

IUPAC1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea
SMILESCOc1ccccc1NC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C25H29N3O6/c1-31-21-9-5-4-8-19(21)27-25(30)28(15-18-7-6-10-34-18)14-17-11-16-12-22(32-2)23(33-3)13-20(16)26-24(17)29/h4-5,8-9,11-13,18H,6-7,10,14-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyDXLNRQSUOOCELN-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.77
Rot. Bonds8

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

1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea (PubChem CID 651956) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea
PubChem CID651956
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea
SMILESCOc1ccccc1NC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)CC1CCCO1
InChIInChI=1S/C25H29N3O6/c1-31-21-9-5-4-8-19(21)27-25(30)28(15-18-7-6-10-34-18)14-17-11-16-12-22(32-2)23(33-3)13-20(16)26-24(17)29/h4-5,8-9,11-13,18H,6-7,10,14-15H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyDXLNRQSUOOCELN-UHFFFAOYSA-N
XLogP3.77
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Jte-907
CID 9867770
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7-methoxy-1-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-8-pentoxyquinoline-3-carboxamide
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N-[2-(4-hydroxyphenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11697527
7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3-carboxylic Acid Phenethylamide
CID 11718456
7-methoxy-2-oxo-N-(2-phenylethyl)-8-propoxy-1H-quinoline-3-carboxamide
CID 23555584
8-butoxy-7-methoxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23555586
N-[2-(2-fluorophenyl)ethyl]-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 23555590
N-[2-(4-fluorophenyl)ethyl]-2-oxo-7,8-dipentoxy-1H-quinoline-3-carboxamide
CID 23555592
N-[2-(4-fluorophenyl)ethyl]-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 23555596

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea (CID 651956) is 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea is COc1ccccc1NC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)CC1CCCO1.
What is the InChIKey of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea?
The InChIKey is DXLNRQSUOOCELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-31-21-9-5-4-8-19(21)27-25(30)28(15-18-7-6-10-34-18)14-17-11-16-12-22(32-2)23(33-3)13-20(16)26-24(17)29/h4-5,8-9,11-13,18H,6-7,10,14-15H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea?
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea has a molecular weight of 467.52 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 651956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).