benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate

C18H14N4O2 — CID 138721164

IUPACbenzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate
SMILESNc1nc2ccccc2c2nc(C(=O)OCc3ccccc3)cn12
InChIInChI=1S/C18H14N4O2/c19-18-21-14-9-5-4-8-13(14)16-20-15(10-22(16)18)17(23)24-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,21)
InChIKeyHUKJMMHLCDPAIK-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.82
Rot. Bonds3

About benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate

benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate (PubChem CID 138721164) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Namebenzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate
PubChem CID138721164
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Namebenzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate
SMILESNc1nc2ccccc2c2nc(C(=O)OCc3ccccc3)cn12
InChIInChI=1S/C18H14N4O2/c19-18-21-14-9-5-4-8-13(14)16-20-15(10-22(16)18)17(23)24-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,21)
InChIKeyHUKJMMHLCDPAIK-UHFFFAOYSA-N
XLogP2.82
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-bromo-1-methylimidazole-4-carboxylate
CID 70980972
dibenzyl 1-methylimidazole-2,4-dicarboxylate
CID 139429649
benzyl 2-methylquinoline-4-carboxylate
CID 804130
benzyl 1-iodotriazole-4-carboxylate
CID 155038216
benzyl 1-[bis(4-phenylmethoxycarbonyltriazol-1-yl)methyl]triazole-4-carboxylate
CID 139186683
benzyl 1-bromoimidazole-4-carboxylate;hydrochloride
CID 174764433
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
benzyl 1-methyl-2-(1-methylpyrazol-4-yl)imidazole-4-carboxylate
CID 70981716
benzyl benzoate
CID 2345
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423
tribenzyl 2-aminopyrimidine-4,5,6-tricarboxylate
CID 167060658

Frequently Asked Questions

What is the IUPAC name of benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate?
The IUPAC name of benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate (CID 138721164) is benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate.
What is the SMILES notation for benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate?
The canonical SMILES for benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate is Nc1nc2ccccc2c2nc(C(=O)OCc3ccccc3)cn12.
What is the InChIKey of benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate?
The InChIKey is HUKJMMHLCDPAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-18-21-14-9-5-4-8-13(14)16-20-15(10-22(16)18)17(23)24-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,21).
What are the key properties of benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate?
benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate has a molecular weight of 318.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-aminoimidazo[1,2-c]quinazoline-2-carboxylate is sourced from PubChem (CID 138721164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).