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

C18H13N3O2 — CID 930888

IUPAC10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)c1
InChIInChI=1S/C18H13N3O2/c1-11-5-4-7-13(9-11)21-15-8-3-2-6-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H,20,22,23)
InChIKeyMPCFHHRLITZGNC-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.49
Rot. Bonds1

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

10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 930888) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID930888
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)c1
InChIInChI=1S/C18H13N3O2/c1-11-5-4-7-13(9-11)21-15-8-3-2-6-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H,20,22,23)
InChIKeyMPCFHHRLITZGNC-UHFFFAOYSA-N
XLogP2.49
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(7-chloro-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)phenyl]methanesulfonamide
CID 71819145
14-methyl-2-phenyl-2,4,6,18-tetrazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),3,8,11,13,15,17-heptaene-5,7-dione
CID 56726645
10-(3-fluorophenyl)-2,4-dioxopyrimido[4,5-b]quinoline-8-carbonitrile
CID 71819007
1-(3-methylphenyl)-2-phenylindole
CID 101372494
8-(dimethylamino)-10-methylpyrimido[4,5-b]quinoline-2,4-dione
CID 1236702
ethane;9-(3-methylphenyl)carbazole
CID 143904684
10-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,4-dioxopyrimido[4,5-b]quinoline-8-carbonitrile
CID 139368975
6-(3-methylphenyl)indolo[1,2-a]quinoline
CID 71507366
10-(3-chloro-4-methylphenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
CID 23909051
3-butyl-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
CID 7551758
10-(4-iodophenyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
CID 1037400
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940

Frequently Asked Questions

What is the IUPAC name of 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione (CID 930888) is 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione is Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)c1.
What is the InChIKey of 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is MPCFHHRLITZGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-5-4-7-13(9-11)21-15-8-3-2-6-12(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H,20,22,23).
What are the key properties of 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylphenyl)pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 930888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).