methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate

C18H18N4O4 — CID 13060552

IUPACmethyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnc2c3cc(NC(=O)C(C)(C)C)ccc3ncn2c1=O
InChIInChI=1S/C18H18N4O4/c1-18(2,3)17(25)21-10-5-6-13-11(7-10)14-19-8-12(16(24)26-4)15(23)22(14)9-20-13/h5-9H,1-4H3,(H,21,25)
InChIKeyYEDSXSULLCBUSB-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.01
Rot. Bonds2

About methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate

methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate (PubChem CID 13060552) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
PubChem CID13060552
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namemethyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnc2c3cc(NC(=O)C(C)(C)C)ccc3ncn2c1=O
InChIInChI=1S/C18H18N4O4/c1-18(2,3)17(25)21-10-5-6-13-11(7-10)14-19-8-12(16(24)26-4)15(23)22(14)9-20-13/h5-9H,1-4H3,(H,21,25)
InChIKeyYEDSXSULLCBUSB-UHFFFAOYSA-N
XLogP2.01
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate with MolForge

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Related Compounds

[10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazolin-3-yl] hydrogen carbonate
CID 70511706
methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060557
ethyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13302089
[10-(2,2-dimethylpropanoylamino)-7-methyl-4-oxopyrimido[2,1-a]isoquinolin-3-yl] hydrogen carbonate
CID 23161553
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]benzoate
CID 113035380
N-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434244
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
methyl 4-bromo-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 102614396

Frequently Asked Questions

What is the IUPAC name of methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The IUPAC name of methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate (CID 13060552) is methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate.
What is the SMILES notation for methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The canonical SMILES for methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate is COC(=O)c1cnc2c3cc(NC(=O)C(C)(C)C)ccc3ncn2c1=O.
What is the InChIKey of methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The InChIKey is YEDSXSULLCBUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-18(2,3)17(25)21-10-5-6-13-11(7-10)14-19-8-12(16(24)26-4)15(23)22(14)9-20-13/h5-9H,1-4H3,(H,21,25).
What are the key properties of methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate is sourced from PubChem (CID 13060552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).