methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate

C20H18N4O3 — CID 168967689

IUPACmethyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Nc1cccc(OC)c1)n1cc(C)nc21
InChIInChI=1S/C20H18N4O3/c1-12-11-24-18(21-12)16-8-7-13(19(25)27-3)9-17(16)23-20(24)22-14-5-4-6-15(10-14)26-2/h4-11H,1-3H3,(H,22,23)
InChIKeyOQYWRNKHJYUULJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.73
Rot. Bonds4

About methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate

methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate (PubChem CID 168967689) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate
PubChem CID168967689
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Nc1cccc(OC)c1)n1cc(C)nc21
InChIInChI=1S/C20H18N4O3/c1-12-11-24-18(21-12)16-8-7-13(19(25)27-3)9-17(16)23-20(24)22-14-5-4-6-15(10-14)26-2/h4-11H,1-3H3,(H,22,23)
InChIKeyOQYWRNKHJYUULJ-UHFFFAOYSA-N
XLogP3.73
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate
CID 168967600
5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967624
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967741
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
methyl 4-chloro-3-[[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112930625
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 3-[[2-(3,4,5-trimethoxyanilino)imidazo[1,2-a][1,3,5]triazin-4-yl]amino]benzoate
CID 118725341
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
methyl 3-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930678
methyl 3-[[2-(4-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112930735

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate?
The IUPAC name of methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate (CID 168967689) is methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate?
The canonical SMILES for methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate is COC(=O)c1ccc2c(c1)nc(Nc1cccc(OC)c1)n1cc(C)nc21.
What is the InChIKey of methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate?
The InChIKey is OQYWRNKHJYUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-11-24-18(21-12)16-8-7-13(19(25)27-3)9-17(16)23-20(24)22-14-5-4-6-15(10-14)26-2/h4-11H,1-3H3,(H,22,23).
What are the key properties of methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate?
methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate is sourced from PubChem (CID 168967689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).