1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea

C18H22N4O2 — CID 97157122

IUPAC1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
SMILESCCC(=O)N1CC[C@@H](NC(=O)Nc2cc(C)cc3cccnc23)C1
InChIInChI=1S/C18H22N4O2/c1-3-16(23)22-8-6-14(11-22)20-18(24)21-15-10-12(2)9-13-5-4-7-19-17(13)15/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyLKCMZDDBKAPPNP-CQSZACIVSA-N
MW326.40 g/mol
LogP2.68
Rot. Bonds3

About 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea

1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea (PubChem CID 97157122) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
PubChem CID97157122
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
SMILESCCC(=O)N1CC[C@@H](NC(=O)Nc2cc(C)cc3cccnc23)C1
InChIInChI=1S/C18H22N4O2/c1-3-16(23)22-8-6-14(11-22)20-18(24)21-15-10-12(2)9-13-5-4-7-19-17(13)15/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyLKCMZDDBKAPPNP-CQSZACIVSA-N
XLogP2.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea (CID 97157122) is 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea is CCC(=O)N1CC[C@@H](NC(=O)Nc2cc(C)cc3cccnc23)C1.
What is the InChIKey of 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
The InChIKey is LKCMZDDBKAPPNP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-16(23)22-8-6-14(11-22)20-18(24)21-15-10-12(2)9-13-5-4-7-19-17(13)15/h4-5,7,9-10,14H,3,6,8,11H2,1-2H3,(H2,20,21,24)/t14-/m1/s1.
What are the key properties of 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylquinolin-8-yl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97157122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).