2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate

C20H17ClN3O3- — CID 9076932

IUPAC2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
SMILESCC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C20H18ClN3O3/c1-2-17(13-3-6-15(7-4-13)27-12-20(25)26)23-24-18-9-10-22-19-11-14(21)5-8-16(18)19/h3-11H,2,12H2,1H3,(H,22,24)(H,25,26)/p-1/b23-17-
InChIKeyKAKFWEIUZHFOEJ-QJOMJCCJSA-M
MW382.83 g/mol
LogP3.24
Rot. Bonds7

About 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate

2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate (PubChem CID 9076932) has the molecular formula C20H17ClN3O3- and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
PubChem CID9076932
Molecular FormulaC20H17ClN3O3-
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
SMILESCC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C20H18ClN3O3/c1-2-17(13-3-6-15(7-4-13)27-12-20(25)26)23-24-18-9-10-22-19-11-14(21)5-8-16(18)19/h3-11H,2,12H2,1H3,(H,22,24)(H,25,26)/p-1/b23-17-
InChIKeyKAKFWEIUZHFOEJ-QJOMJCCJSA-M
XLogP3.24
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9076810
2-[4-[(Z)-C-ethyl-N-(methoxycarbonylamino)carbonimidoyl]phenoxy]acetate
CID 9075506
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9016363
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
2-[4-[(Z)-N-(2-chloroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9070034
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9058461
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 133163745
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate (CID 9076932) is 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate is CC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
The InChIKey is KAKFWEIUZHFOEJ-QJOMJCCJSA-M. The full InChI is InChI=1S/C20H18ClN3O3/c1-2-17(13-3-6-15(7-4-13)27-12-20(25)26)23-24-18-9-10-22-19-11-14(21)5-8-16(18)19/h3-11H,2,12H2,1H3,(H,22,24)(H,25,26)/p-1/b23-17-.
What are the key properties of 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate has a molecular weight of 382.83 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9076932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).