5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione

C23H20BrN3O4 — CID 45271192

IUPAC5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cccc(Br)c1)C1=C(CC(c3ccco3)CC1=O)N2
InChIInChI=1S/C23H20BrN3O4/c1-26-21-20(22(29)27(2)23(26)30)18(12-5-3-6-14(24)9-12)19-15(25-21)10-13(11-16(19)28)17-7-4-8-31-17/h3-9,13,18,25H,10-11H2,1-2H3
InChIKeyGIZQRVDABPMVFV-UHFFFAOYSA-N
MW482.33 g/mol
LogP3.40
Rot. Bonds2

About 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione

5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 45271192) has the molecular formula C23H20BrN3O4 and a molecular weight of 482.33 g/mol. Its IUPAC name is 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID45271192
Molecular FormulaC23H20BrN3O4
Molecular Weight482.33 g/mol
Exact Mass481.06
IUPAC Name5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cccc(Br)c1)C1=C(CC(c3ccco3)CC1=O)N2
InChIInChI=1S/C23H20BrN3O4/c1-26-21-20(22(29)27(2)23(26)30)18(12-5-3-6-14(24)9-12)19-15(25-21)10-13(11-16(19)28)17-7-4-8-31-17/h3-9,13,18,25H,10-11H2,1-2H3
InChIKeyGIZQRVDABPMVFV-UHFFFAOYSA-N
XLogP3.40
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione (CID 45271192) is 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione is Cn1c2c(c(=O)n(C)c1=O)C(c1cccc(Br)c1)C1=C(CC(c3ccco3)CC1=O)N2.
What is the InChIKey of 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is GIZQRVDABPMVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4/c1-26-21-20(22(29)27(2)23(26)30)18(12-5-3-6-14(24)9-12)19-15(25-21)10-13(11-16(19)28)17-7-4-8-31-17/h3-9,13,18,25H,10-11H2,1-2H3.
What are the key properties of 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione?
5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 482.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-8-(furan-2-yl)-1,3-dimethyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 45271192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).