ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate

C20H27N3O3 — CID 133388687

IUPACethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N1CCCN(CC)CC1
InChIInChI=1S/C20H27N3O3/c1-4-22-9-6-10-23(12-11-22)19-16-13-15(25-3)7-8-18(16)21-14-17(19)20(24)26-5-2/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyFNNIYWXJNPYFLU-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.95
Rot. Bonds5

About ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate

ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate (PubChem CID 133388687) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
PubChem CID133388687
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N1CCCN(CC)CC1
InChIInChI=1S/C20H27N3O3/c1-4-22-9-6-10-23(12-11-22)19-16-13-15(25-3)7-8-18(16)21-14-17(19)20(24)26-5-2/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKeyFNNIYWXJNPYFLU-UHFFFAOYSA-N
XLogP2.95
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
6-Ethoxy-4-(3-morpholin-4-yl-propylamino)-quinoline-3-carboxylic acid ethyl ester
CID 16804582
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
Ethyl 4-[(3,4-dimethoxyphenyl)amino]-6,8-dimethylquinoline-3-carboxylate
CID 1187221
3-Butyryl-4-(2-methylphenylamino)-8-(3-dimethylaminopropoxy)quinoline
CID 9931129
8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic acid ethyl ester
CID 13038439

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate (CID 133388687) is ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCCN(CC)CC1.
What is the InChIKey of ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate?
The InChIKey is FNNIYWXJNPYFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-22-9-6-10-23(12-11-22)19-16-13-15(25-3)7-8-18(16)21-14-17(19)20(24)26-5-2/h7-8,13-14H,4-6,9-12H2,1-3H3.
What are the key properties of ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate?
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 133388687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).