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

C20H20N4O4 — CID 13060557

IUPACmethyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnc2c3cc(NC(=O)C4CCCCC4)ccc3ncn2c1=O
InChIInChI=1S/C20H20N4O4/c1-28-20(27)15-10-21-17-14-9-13(23-18(25)12-5-3-2-4-6-12)7-8-16(14)22-11-24(17)19(15)26/h7-12H,2-6H2,1H3,(H,23,25)
InChIKeyYFRXIJHOLYFALY-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.55
Rot. Bonds3

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

methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate (PubChem CID 13060557) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
PubChem CID13060557
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Namemethyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnc2c3cc(NC(=O)C4CCCCC4)ccc3ncn2c1=O
InChIInChI=1S/C20H20N4O4/c1-28-20(27)15-10-21-17-14-9-13(23-18(25)12-5-3-2-4-6-12)7-8-16(14)22-11-24(17)19(15)26/h7-12H,2-6H2,1H3,(H,23,25)
InChIKeyYFRXIJHOLYFALY-UHFFFAOYSA-N
XLogP2.55
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
[10-(2,2-dimethylpropanoylamino)-4-oxopyrimido[1,2-c]quinazolin-3-yl] hydrogen carbonate
CID 70511706
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
methyl (E)-3-[5-(cyclohexanecarbonylamino)-2-methylphenyl]prop-2-enoate
CID 126716987
ethyl 5-(cyclohexanecarbonylamino)-1-(3-methylbenzoyl)indazole-3-carboxylate
CID 71818963
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508

Frequently Asked Questions

What is the IUPAC name of methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The IUPAC name of methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate (CID 13060557) is methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate.
What is the SMILES notation for methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The canonical SMILES for methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate is COC(=O)c1cnc2c3cc(NC(=O)C4CCCCC4)ccc3ncn2c1=O.
What is the InChIKey of methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
The InChIKey is YFRXIJHOLYFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-28-20(27)15-10-21-17-14-9-13(23-18(25)12-5-3-2-4-6-12)7-8-16(14)22-11-24(17)19(15)26/h7-12H,2-6H2,1H3,(H,23,25).
What are the key properties of methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate?
methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-(cyclohexanecarbonylamino)-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate is sourced from PubChem (CID 13060557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).