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

C18H15N5O — CID 10591571

IUPAC2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one
SMILESCc1ccccc1-n1c2ccccc2c(=O)c2c(N)nc(N)nc21
InChIInChI=1S/C18H15N5O/c1-10-6-2-4-8-12(10)23-13-9-5-3-7-11(13)15(24)14-16(19)21-18(20)22-17(14)23/h2-9H,1H3,(H4,19,20,21,22)
InChIKeyWMFBRWSNVZMZGS-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.41
Rot. Bonds1

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

2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one (PubChem CID 10591571) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one.

Molecular Properties

Compound Name2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one
PubChem CID10591571
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one
SMILESCc1ccccc1-n1c2ccccc2c(=O)c2c(N)nc(N)nc21
InChIInChI=1S/C18H15N5O/c1-10-6-2-4-8-12(10)23-13-9-5-3-7-11(13)15(24)14-16(19)21-18(20)22-17(14)23/h2-9H,1H3,(H4,19,20,21,22)
InChIKeyWMFBRWSNVZMZGS-UHFFFAOYSA-N
XLogP2.41
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.41
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-methylphenyl)pyrimido[4,5-b]quinolin-5-one?
The IUPAC name of 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one (CID 10591571) is 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one.
What is the SMILES notation for 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one?
The canonical SMILES for 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one is Cc1ccccc1-n1c2ccccc2c(=O)c2c(N)nc(N)nc21.
What is the InChIKey of 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one?
The InChIKey is WMFBRWSNVZMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-10-6-2-4-8-12(10)23-13-9-5-3-7-11(13)15(24)14-16(19)21-18(20)22-17(14)23/h2-9H,1H3,(H4,19,20,21,22).
What are the key properties of 2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one?
2,4-diamino-10-(2-methylphenyl)pyrimido[4,5-b]quinolin-5-one has a molecular weight of 317.35 g/mol, XLogP of 2.41, 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-methylphenyl)pyrimido[4,5-b]quinolin-5-one is sourced from PubChem (CID 10591571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).