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

C22H21N3O3 — CID 2027488

IUPAC3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
SMILESCn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccco3)nc21
InChIInChI=1S/C22H21N3O3/c1-24-16-11-6-5-10-15(16)19(26)18-21(24)23-20(17-12-7-13-28-17)25(22(18)27)14-8-3-2-4-9-14/h5-7,10-14H,2-4,8-9H2,1H3
InChIKeyIQLRRAQQPLWJBB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.01
Rot. Bonds2

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

3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione (PubChem CID 2027488) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
PubChem CID2027488
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
SMILESCn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccco3)nc21
InChIInChI=1S/C22H21N3O3/c1-24-16-11-6-5-10-15(16)19(26)18-21(24)23-20(17-12-7-13-28-17)25(22(18)27)14-8-3-2-4-9-14/h5-7,10-14H,2-4,8-9H2,1H3
InChIKeyIQLRRAQQPLWJBB-UHFFFAOYSA-N
XLogP4.01
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

CID 64027
CID 64027
CID 683379
CID 683379
CID 332456
CID 332456
CID 563918
CID 563918
CID 665349
CID 665349
CID 3236029
CID 3236029
CID 991507
CID 991507
CID 147256078
CID 147256078
CID 135473199
CID 135473199
CID 711110
CID 711110
CID 743606
CID 743606
CID 849813
CID 849813

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione?
The IUPAC name of 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione (CID 2027488) is 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione.
What is the SMILES notation for 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione?
The canonical SMILES for 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione is Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccco3)nc21.
What is the InChIKey of 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione?
The InChIKey is IQLRRAQQPLWJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-24-16-11-6-5-10-15(16)19(26)18-21(24)23-20(17-12-7-13-28-17)25(22(18)27)14-8-3-2-4-9-14/h5-7,10-14H,2-4,8-9H2,1H3.
What are the key properties of 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione?
3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione has a molecular weight of 375.43 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(furan-2-yl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione is sourced from PubChem (CID 2027488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).