(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide

C23H27N3O5 — CID 26853958

IUPAC(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-29-19-13-16(14-20(30-2)23(19)31-3)10-11-21(27)24-25-22(28)15-26-12-6-8-17-7-4-5-9-18(17)26/h4-5,7,9-11,13-14H,6,8,12,15H2,1-3H3,(H,24,27)(H,25,28)/b11-10+
InChIKeyLZELLELRXDLNJI-ZHACJKMWSA-N
MW425.49 g/mol
LogP2.33
Rot. Bonds7

About (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide

(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide (PubChem CID 26853958) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
PubChem CID26853958
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C23H27N3O5/c1-29-19-13-16(14-20(30-2)23(19)31-3)10-11-21(27)24-25-22(28)15-26-12-6-8-17-7-4-5-9-18(17)26/h4-5,7,9-11,13-14H,6,8,12,15H2,1-3H3,(H,24,27)(H,25,28)/b11-10+
InChIKeyLZELLELRXDLNJI-ZHACJKMWSA-N
XLogP2.33
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enehydrazide
CID 9159473
(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enehydrazide
CID 9272335
methyl 5-[(E)-3-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate
CID 24559634
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9272342
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 3914095
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078015
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 31308382

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide (CID 26853958) is (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide is COc1cc(/C=C/C(=O)NNC(=O)CN2CCCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is LZELLELRXDLNJI-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-29-19-13-16(14-20(30-2)23(19)31-3)10-11-21(27)24-25-22(28)15-26-12-6-8-17-7-4-5-9-18(17)26/h4-5,7,9-11,13-14H,6,8,12,15H2,1-3H3,(H,24,27)(H,25,28)/b11-10+.
What are the key properties of (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide?
(E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 425.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 26853958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).