2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one

C17H11Cl2N5O — CID 10642998

IUPAC2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one
SMILESNc1nc(N)c2c(=O)c3ccccc3n(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C17H11Cl2N5O/c18-8-5-6-12(10(19)7-8)24-11-4-2-1-3-9(11)14(25)13-15(20)22-17(21)23-16(13)24/h1-7H,(H4,20,21,22,23)
InChIKeyJKUDQOCXYZYSBL-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.41
Rot. Bonds1

About 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one

2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one (PubChem CID 10642998) has the molecular formula C17H11Cl2N5O and a molecular weight of 372.22 g/mol. Its IUPAC name is 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one.

Molecular Properties

Compound Name2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one
PubChem CID10642998
Molecular FormulaC17H11Cl2N5O
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one
SMILESNc1nc(N)c2c(=O)c3ccccc3n(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C17H11Cl2N5O/c18-8-5-6-12(10(19)7-8)24-11-4-2-1-3-9(11)14(25)13-15(20)22-17(21)23-16(13)24/h1-7H,(H4,20,21,22,23)
InChIKeyJKUDQOCXYZYSBL-UHFFFAOYSA-N
XLogP3.41
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one?
The IUPAC name of 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one (CID 10642998) is 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one.
What is the SMILES notation for 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one?
The canonical SMILES for 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one is Nc1nc(N)c2c(=O)c3ccccc3n(-c3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one?
The InChIKey is JKUDQOCXYZYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N5O/c18-8-5-6-12(10(19)7-8)24-11-4-2-1-3-9(11)14(25)13-15(20)22-17(21)23-16(13)24/h1-7H,(H4,20,21,22,23).
What are the key properties of 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one?
2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one has a molecular weight of 372.22 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-10-(2,4-dichlorophenyl)pyrimido[4,5-b]quinolin-5-one is sourced from PubChem (CID 10642998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).