1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea

C19H19ClN4O2 — CID 20924479

IUPAC1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)Nc2ccc(Cl)cn2)c2ccccc2c1=O
InChIInChI=1S/C19H19ClN4O2/c1-12(2)10-24-11-16(14-5-3-4-6-15(14)18(24)25)22-19(26)23-17-8-7-13(20)9-21-17/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23,26)
InChIKeyLFDRSEYNUQUJMO-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.35
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea

1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea (PubChem CID 20924479) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
PubChem CID20924479
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
SMILESCC(C)Cn1cc(NC(=O)Nc2ccc(Cl)cn2)c2ccccc2c1=O
InChIInChI=1S/C19H19ClN4O2/c1-12(2)10-24-11-16(14-5-3-4-6-15(14)18(24)25)22-19(26)23-17-8-7-13(20)9-21-17/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23,26)
InChIKeyLFDRSEYNUQUJMO-UHFFFAOYSA-N
XLogP4.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924387
1-(5-methyl-1,2-oxazol-3-yl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924386
1-(4-bromo-2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924392
1-(5-chloro-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 12060189
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 92706705
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
2,6-dimethyl-N-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]piperidine-1-carboxamide
CID 20924488
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924559
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
N-methyl-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 53015565
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 3954046
1-(2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-1-propylurea
CID 20924440

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea (CID 20924479) is 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea is CC(C)Cn1cc(NC(=O)Nc2ccc(Cl)cn2)c2ccccc2c1=O.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
The InChIKey is LFDRSEYNUQUJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12(2)10-24-11-16(14-5-3-4-6-15(14)18(24)25)22-19(26)23-17-8-7-13(20)9-21-17/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23,26).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea?
1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea has a molecular weight of 370.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea is sourced from PubChem (CID 20924479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).