ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate

C18H19N3O3 — CID 13060540

IUPACethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCCCCc1ccc2ncn3c(=O)c(C(=O)OCC)cnc3c2c1
InChIInChI=1S/C18H19N3O3/c1-3-5-6-12-7-8-15-13(9-12)16-19-10-14(18(23)24-4-2)17(22)21(16)11-20-15/h7-11H,3-6H2,1-2H3
InChIKeyNHYFCWPMNNPITD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.76
Rot. Bonds5

About ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate

ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate (PubChem CID 13060540) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
PubChem CID13060540
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCCCCc1ccc2ncn3c(=O)c(C(=O)OCC)cnc3c2c1
InChIInChI=1S/C18H19N3O3/c1-3-5-6-12-7-8-15-13(9-12)16-19-10-14(18(23)24-4-2)17(22)21(16)11-20-15/h7-11H,3-6H2,1-2H3
InChIKeyNHYFCWPMNNPITD-UHFFFAOYSA-N
XLogP2.76
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.76
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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Related Compounds

ethyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13302089
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
methyl 6-butyl-4-(methylamino)quinoline-3-carboxylate
CID 102614811
ethyl 3-methyl-10-oxo-5-thia-7,9,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 15415707
methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060552
ethyl 2,5-dibutylbenzoate
CID 166059942
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate
CID 7454231
ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 121384978
diethyl 6-(4-butylphenyl)azulene-1,3-dicarboxylate
CID 11036889

Frequently Asked Questions

What is the IUPAC name of ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The IUPAC name of ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate (CID 13060540) is ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate is CCCCc1ccc2ncn3c(=O)c(C(=O)OCC)cnc3c2c1.
What is the InChIKey of ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The InChIKey is NHYFCWPMNNPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-5-6-12-7-8-15-13(9-12)16-19-10-14(18(23)24-4-2)17(22)21(16)11-20-15/h7-11H,3-6H2,1-2H3.
What are the key properties of ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate is sourced from PubChem (CID 13060540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).