methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate

C20H18N4O2 — CID 168967600

IUPACmethyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Nc1cccc(C)c1)n1cc(C)nc21
InChIInChI=1S/C20H18N4O2/c1-12-5-4-6-15(9-12)22-20-23-17-10-14(19(25)26-3)7-8-16(17)18-21-13(2)11-24(18)20/h4-11H,1-3H3,(H,22,23)
InChIKeyDYOGUKFXGWZADU-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.03
Rot. Bonds3

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

methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate (PubChem CID 168967600) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate
PubChem CID168967600
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Namemethyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(Nc1cccc(C)c1)n1cc(C)nc21
InChIInChI=1S/C20H18N4O2/c1-12-5-4-6-15(9-12)22-20-23-17-10-14(19(25)26-3)7-8-16(17)18-21-13(2)11-24(18)20/h4-11H,1-3H3,(H,22,23)
InChIKeyDYOGUKFXGWZADU-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(3-methoxyanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylate
CID 168967689
5-(3-tert-butylanilino)-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967624
5-[(2-chloro-4-pyridinyl)amino]-2-methylimidazo[1,2-c]quinazoline-8-carboxylic acid
CID 168967741
methyl 3-(methoxyamino)-5-(3-methylanilino)pyrimido[4,5-c]quinoline-8-carboxylate
CID 88896529
methyl 2-(3-methylanilino)-1-(thiophen-2-ylmethyl)benzimidazole-5-carboxylate
CID 101154575
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 2-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazole-6-carboxylate
CID 121080649
methyl 3-[[6-(4-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878840
methyl 3-[(1-phenylbenzimidazol-2-yl)amino]benzoate
CID 141343666
methyl 3-[[2-(3,4,5-trimethoxyanilino)imidazo[1,2-a][1,3,5]triazin-4-yl]amino]benzoate
CID 118725341

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate?
The IUPAC name of methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate (CID 168967600) is methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate is COC(=O)c1ccc2c(c1)nc(Nc1cccc(C)c1)n1cc(C)nc21.
What is the InChIKey of methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate?
The InChIKey is DYOGUKFXGWZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-5-4-6-15(9-12)22-20-23-17-10-14(19(25)26-3)7-8-16(17)18-21-13(2)11-24(18)20/h4-11H,1-3H3,(H,22,23).
What are the key properties of methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate?
methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(3-methylanilino)imidazo[1,2-c]quinazoline-8-carboxylate is sourced from PubChem (CID 168967600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).