(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate

C20H15N3O4 — CID 7507095

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cc(=O)c4ccccc4[nH]3)cc(=O)n2c1
InChIInChI=1S/C20H15N3O4/c1-12-6-7-18-21-13(8-19(25)23(18)10-12)11-27-20(26)16-9-17(24)14-4-2-3-5-15(14)22-16/h2-10H,11H2,1H3,(H,22,24)
InChIKeyRVLZXUGJGHQZCD-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.20
Rot. Bonds3

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507095) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507095
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cc(=O)c4ccccc4[nH]3)cc(=O)n2c1
InChIInChI=1S/C20H15N3O4/c1-12-6-7-18-21-13(8-19(25)23(18)10-12)11-27-20(26)16-9-17(24)14-4-2-3-5-15(14)22-16/h2-10H,11H2,1H3,(H,22,24)
InChIKeyRVLZXUGJGHQZCD-UHFFFAOYSA-N
XLogP2.20
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate (CID 7507095) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate is Cc1ccc2nc(COC(=O)c3cc(=O)c4ccccc4[nH]3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is RVLZXUGJGHQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-12-6-7-18-21-13(8-19(25)23(18)10-12)11-27-20(26)16-9-17(24)14-4-2-3-5-15(14)22-16/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).