ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride

C46H51ClN6O8S2 — CID 159929160

IUPACethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride
SMILESCC(C)C(=O)Cl.CCOC(=O)c1nc(-c2cccs2)n2c1CCc1cc(OC)c(N)cc1-2.CCOC(=O)c1nc(-c2cccs2)n2c1CCc1cc(OC)c(NC(=O)C(C)C)cc1-2
InChIInChI=1S/C23H25N3O4S.C19H19N3O3S.C4H7ClO/c1-5-30-23(28)20-16-9-8-14-11-18(29-4)15(24-22(27)13(2)3)12-17(14)26(16)21(25-20)19-7-6-10-31-19;1-3-25-19(23)17-13-7-6-11-9-15(24-2)12(20)10-14(11)22(13)18(21-17)16-5-4-8-26-16;1-3(2)4(5)6/h6-7,10-13H,5,8-9H2,1-4H3,(H,24,27);4-5,8-10H,3,6-7,20H2,1-2H3;3H,1-2H3
InChIKeyNZKKKEFVHKHMSI-UHFFFAOYSA-N
MW915.53 g/mol
LogP9.35
Rot. Bonds11

About ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride

ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride (PubChem CID 159929160) has the molecular formula C46H51ClN6O8S2 and a molecular weight of 915.53 g/mol. Its IUPAC name is ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride.

Molecular Properties

Compound Nameethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride
PubChem CID159929160
Molecular FormulaC46H51ClN6O8S2
Molecular Weight915.53 g/mol
Exact Mass914.29
IUPAC Nameethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride
SMILESCC(C)C(=O)Cl.CCOC(=O)c1nc(-c2cccs2)n2c1CCc1cc(OC)c(N)cc1-2.CCOC(=O)c1nc(-c2cccs2)n2c1CCc1cc(OC)c(NC(=O)C(C)C)cc1-2
InChIInChI=1S/C23H25N3O4S.C19H19N3O3S.C4H7ClO/c1-5-30-23(28)20-16-9-8-14-11-18(29-4)15(24-22(27)13(2)3)12-17(14)26(16)21(25-20)19-7-6-10-31-19;1-3-25-19(23)17-13-7-6-11-9-15(24-2)12(20)10-14(11)22(13)18(21-17)16-5-4-8-26-16;1-3(2)4(5)6/h6-7,10-13H,5,8-9H2,1-4H3,(H,24,27);4-5,8-10H,3,6-7,20H2,1-2H3;3H,1-2H3
InChIKeyNZKKKEFVHKHMSI-UHFFFAOYSA-N
XLogP9.35
TPSA178.89 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.53
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride with MolForge

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Related Compounds

ethyl 8-methoxy-9-(2-methylpropanoylamino)-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 58147658
[3-(1,1-dihydroxyethoxy)pyrrolidin-1-yl]-[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
CID 144766500
N-(3-formyl-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl)-2-methylpropanamide
CID 143843414
ethyl 3-(3-amino-5-thiophen-2-yl-1,2,4-triazol-4-yl)-4-methoxybenzoate
CID 134541187
N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 87056841
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42058383
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41156735
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
(2S)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2633812
N-(5-chloro-2-methoxyphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725884
(2S)-N-(2-methoxyphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 95049739
ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 58124993

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride?
The IUPAC name of ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride (CID 159929160) is ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride.
What is the SMILES notation for ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride?
The canonical SMILES for ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride is CC(C)C(=O)Cl.CCOC(=O)c1nc(-c2cccs2)n2c1CCc1cc(OC)c(N)cc1-2.CCOC(=O)c1nc(-c2cccs2)n2c1CCc1cc(OC)c(NC(=O)C(C)C)cc1-2.
What is the InChIKey of ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride?
The InChIKey is NZKKKEFVHKHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S.C19H19N3O3S.C4H7ClO/c1-5-30-23(28)20-16-9-8-14-11-18(29-4)15(24-22(27)13(2)3)12-17(14)26(16)21(25-20)19-7-6-10-31-19;1-3-25-19(23)17-13-7-6-11-9-15(24-2)12(20)10-14(11)22(13)18(21-17)16-5-4-8-26-16;1-3(2)4(5)6/h6-7,10-13H,5,8-9H2,1-4H3,(H,24,27);4-5,8-10H,3,6-7,20H2,1-2H3;3H,1-2H3.
What are the key properties of ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride?
ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride has a molecular weight of 915.53 g/mol, XLogP of 9.35, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-7-methoxy-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;ethyl 7-methoxy-8-(2-methylpropanoylamino)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxylate;2-methylpropanoyl chloride is sourced from PubChem (CID 159929160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).