[(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate

C18H18ClN3O2 — CID 12604631

IUPAC[(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate
SMILESCCN1CC/C(=N\OC(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-2-22-12-11-16(15-5-3-4-6-17(15)22)21-24-18(23)20-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,23)/b21-16+
InChIKeyILNGULQNJZVFSX-LTGZKZEYSA-N
MW343.81 g/mol
LogP4.52
Rot. Bonds3

About [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate

[(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate (PubChem CID 12604631) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate
PubChem CID12604631
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name[(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate
SMILESCCN1CC/C(=N\OC(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-2-22-12-11-16(15-5-3-4-6-17(15)22)21-24-18(23)20-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,23)/b21-16+
InChIKeyILNGULQNJZVFSX-LTGZKZEYSA-N
XLogP4.52
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2,3-dihydroinden-1-ylideneamino] N-(3-chlorophenyl)carbamate
CID 5404037
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
CID 748240
[(Z)-(3,4-dibromo-3-methylbutan-2-ylidene)amino] N-(4-chlorophenyl)carbamate
CID 23260812
(NZ)-N-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337325
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
[(E)-[1-(4-bromophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-ylidene]amino] N-(4-chlorophenyl)carbamate
CID 18833539
2-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 77033454
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
[2-[(2-phenylacetyl)amino]ethylideneamino] N-(4-chlorophenyl)carbamate
CID 4141987
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954

Frequently Asked Questions

What is the IUPAC name of [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate (CID 12604631) is [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate is CCN1CC/C(=N\OC(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate?
The InChIKey is ILNGULQNJZVFSX-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-2-22-12-11-16(15-5-3-4-6-17(15)22)21-24-18(23)20-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,23)/b21-16+.
What are the key properties of [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate?
[(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate has a molecular weight of 343.81 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-ethyl-2,3-dihydroquinolin-4-ylidene)amino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 12604631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).