1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione

C24H23N3O3 — CID 58329436

IUPAC1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
SMILESCOc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCCC3)c12
InChIInChI=1S/C24H23N3O3/c1-15-7-5-10-17(13-15)27-23(28)19-14-25-21-18(11-6-12-20(21)30-2)22(19)26(24(27)29)16-8-3-4-9-16/h5-7,10-14,16H,3-4,8-9H2,1-2H3
InChIKeyNMCBQDCTQPGXHQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.13
Rot. Bonds3

About 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione

1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione (PubChem CID 58329436) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione.

Molecular Properties

Compound Name1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
PubChem CID58329436
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
SMILESCOc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCCC3)c12
InChIInChI=1S/C24H23N3O3/c1-15-7-5-10-17(13-15)27-23(28)19-14-25-21-18(11-6-12-20(21)30-2)22(19)26(24(27)29)16-8-3-4-9-16/h5-7,10-14,16H,3-4,8-9H2,1-2H3
InChIKeyNMCBQDCTQPGXHQ-UHFFFAOYSA-N
XLogP4.13
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
The IUPAC name of 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione (CID 58329436) is 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione.
What is the SMILES notation for 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
The canonical SMILES for 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione is COc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCCC3)c12.
What is the InChIKey of 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
The InChIKey is NMCBQDCTQPGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-7-5-10-17(13-15)27-23(28)19-14-25-21-18(11-6-12-20(21)30-2)22(19)26(24(27)29)16-8-3-4-9-16/h5-7,10-14,16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione is sourced from PubChem (CID 58329436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).