1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea

C16H17ClN4O2 — CID 95774160

IUPAC1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(Cl)c(NC(=O)N[C@@H]2CCN(C)C2=O)c2cccnc12
InChIInChI=1S/C16H17ClN4O2/c1-9-8-11(17)14(10-4-3-6-18-13(9)10)20-16(23)19-12-5-7-21(2)15(12)22/h3-4,6,8,12H,5,7H2,1-2H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyJCIIRKZFWNXRGB-GFCCVEGCSA-N
MW332.79 g/mol
LogP2.55
Rot. Bonds2

About 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea

1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea (PubChem CID 95774160) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
PubChem CID95774160
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(Cl)c(NC(=O)N[C@@H]2CCN(C)C2=O)c2cccnc12
InChIInChI=1S/C16H17ClN4O2/c1-9-8-11(17)14(10-4-3-6-18-13(9)10)20-16(23)19-12-5-7-21(2)15(12)22/h3-4,6,8,12H,5,7H2,1-2H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyJCIIRKZFWNXRGB-GFCCVEGCSA-N
XLogP2.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea (CID 95774160) is 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea is Cc1cc(Cl)c(NC(=O)N[C@@H]2CCN(C)C2=O)c2cccnc12.
What is the InChIKey of 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
The InChIKey is JCIIRKZFWNXRGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-9-8-11(17)14(10-4-3-6-18-13(9)10)20-16(23)19-12-5-7-21(2)15(12)22/h3-4,6,8,12H,5,7H2,1-2H3,(H2,19,20,23)/t12-/m1/s1.
What are the key properties of 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea has a molecular weight of 332.79 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 95774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).