(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

C20H14N2O4 — CID 134043010

IUPAC(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCOc1ccc2ccc(OC(=O)c3cnc4ccccn4c3=O)cc2c1
InChIInChI=1S/C20H14N2O4/c1-25-15-7-5-13-6-8-16(11-14(13)10-15)26-20(24)17-12-21-18-4-2-3-9-22(18)19(17)23/h2-12H,1H3
InChIKeyUEFHQTHJSNBHLR-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.08
Rot. Bonds3

About (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 134043010) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID134043010
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCOc1ccc2ccc(OC(=O)c3cnc4ccccn4c3=O)cc2c1
InChIInChI=1S/C20H14N2O4/c1-25-15-7-5-13-6-8-16(11-14(13)10-15)26-20(24)17-12-21-18-4-2-3-9-22(18)19(17)23/h2-12H,1H3
InChIKeyUEFHQTHJSNBHLR-UHFFFAOYSA-N
XLogP3.08
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
CID 97032771
(3-acetylphenyl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 86916716
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575307
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620945
N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 112809145
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
naphthalen-2-yl 4-methoxybenzoate
CID 532400
3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675717

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate (CID 134043010) is (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate is COc1ccc2ccc(OC(=O)c3cnc4ccccn4c3=O)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is UEFHQTHJSNBHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-25-15-7-5-13-6-8-16(11-14(13)10-15)26-20(24)17-12-21-18-4-2-3-9-22(18)19(17)23/h2-12H,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate?
(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 134043010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).