10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione

C17H13N3O3 — CID 10566649

IUPAC10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCn1c(=O)nc2n(Cc3ccco3)c3ccccc3cc-2c1=O
InChIInChI=1S/C17H13N3O3/c1-19-16(21)13-9-11-5-2-3-7-14(11)20(15(13)18-17(19)22)10-12-6-4-8-23-12/h2-9H,10H2,1H3
InChIKeyDDHSBGCMLSMXGA-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.84
Rot. Bonds2

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

10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 10566649) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID10566649
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCn1c(=O)nc2n(Cc3ccco3)c3ccccc3cc-2c1=O
InChIInChI=1S/C17H13N3O3/c1-19-16(21)13-9-11-5-2-3-7-14(11)20(15(13)18-17(19)22)10-12-6-4-8-23-12/h2-9H,10H2,1H3
InChIKeyDDHSBGCMLSMXGA-UHFFFAOYSA-N
XLogP1.84
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
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 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione (CID 10566649) is 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione is Cn1c(=O)nc2n(Cc3ccco3)c3ccccc3cc-2c1=O.
What is the InChIKey of 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is DDHSBGCMLSMXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-19-16(21)13-9-11-5-2-3-7-14(11)20(15(13)18-17(19)22)10-12-6-4-8-23-12/h2-9H,10H2,1H3.
What are the key properties of 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 307.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 10566649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).