10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione

C19H14ClN3O2 — CID 23909051

IUPAC10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1Cl
InChIInChI=1S/C19H14ClN3O2/c1-11-7-8-13(10-15(11)20)23-16-6-4-3-5-12(16)9-14-17(23)21-19(25)22(2)18(14)24/h3-10H,1-2H3
InChIKeyIDGXZNUDSXYZKC-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.15
Rot. Bonds1

About 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione

10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 23909051) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID23909051
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1Cl
InChIInChI=1S/C19H14ClN3O2/c1-11-7-8-13(10-15(11)20)23-16-6-4-3-5-12(16)9-14-17(23)21-19(25)22(2)18(14)24/h3-10H,1-2H3
InChIKeyIDGXZNUDSXYZKC-UHFFFAOYSA-N
XLogP3.15
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione (CID 23909051) is 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione is Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1Cl.
What is the InChIKey of 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is IDGXZNUDSXYZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-11-7-8-13(10-15(11)20)23-16-6-4-3-5-12(16)9-14-17(23)21-19(25)22(2)18(14)24/h3-10H,1-2H3.
What are the key properties of 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 351.79 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 23909051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).