1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea

C13H13N5O — CID 71323187

IUPAC1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea
SMILESCNC(=O)Nc1ccnc2ccc3c(ncn3C)c12
InChIInChI=1S/C13H13N5O/c1-14-13(19)17-9-5-6-15-8-3-4-10-12(11(8)9)16-7-18(10)2/h3-7H,1-2H3,(H2,14,15,17,19)
InChIKeyFDQNORNTINMLRI-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.87
Rot. Bonds1

About 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea

1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea (PubChem CID 71323187) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea
PubChem CID71323187
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea
SMILESCNC(=O)Nc1ccnc2ccc3c(ncn3C)c12
InChIInChI=1S/C13H13N5O/c1-14-13(19)17-9-5-6-15-8-3-4-10-12(11(8)9)16-7-18(10)2/h3-7H,1-2H3,(H2,14,15,17,19)
InChIKeyFDQNORNTINMLRI-UHFFFAOYSA-N
XLogP1.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea?
The IUPAC name of 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea (CID 71323187) is 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea.
What is the SMILES notation for 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea?
The canonical SMILES for 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea is CNC(=O)Nc1ccnc2ccc3c(ncn3C)c12.
What is the InChIKey of 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea?
The InChIKey is FDQNORNTINMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-14-13(19)17-9-5-6-15-8-3-4-10-12(11(8)9)16-7-18(10)2/h3-7H,1-2H3,(H2,14,15,17,19).
What are the key properties of 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea?
1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea has a molecular weight of 255.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea is sourced from PubChem (CID 71323187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).