2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate

C19H15ClN3O3- — CID 9076810

IUPAC2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
SMILESC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C19H16ClN3O3/c1-12(13-3-2-4-15(9-13)26-11-19(24)25)22-23-17-7-8-21-18-10-14(20)5-6-16(17)18/h2-10H,11H2,1H3,(H,21,23)(H,24,25)/p-1/b22-12-
InChIKeyGMNXKGKOUXAQDG-UUYOSTAYSA-M
MW368.80 g/mol
LogP2.85
Rot. Bonds6

About 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate

2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate (PubChem CID 9076810) has the molecular formula C19H15ClN3O3- and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
PubChem CID9076810
Molecular FormulaC19H15ClN3O3-
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
SMILESC/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C19H16ClN3O3/c1-12(13-3-2-4-15(9-13)26-11-19(24)25)22-23-17-7-8-21-18-10-14(20)5-6-16(17)18/h2-10H,11H2,1H3,(H,21,23)(H,24,25)/p-1/b22-12-
InChIKeyGMNXKGKOUXAQDG-UUYOSTAYSA-M
XLogP2.85
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.85
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-[4-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9076932
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-7-chloroquinolin-4-amine
CID 9076910
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
7-chloro-N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]quinolin-4-amine
CID 9076847
3-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135524194
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
lithium 2-(3-chlorophenoxy)acetate
CID 19205694
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate (CID 9076810) is 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate is C/C(=N/Nc1ccnc2cc(Cl)ccc12)c1cccc(OCC(=O)[O-])c1.
What is the InChIKey of 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The InChIKey is GMNXKGKOUXAQDG-UUYOSTAYSA-M. The full InChI is InChI=1S/C19H16ClN3O3/c1-12(13-3-2-4-15(9-13)26-11-19(24)25)22-23-17-7-8-21-18-10-14(20)5-6-16(17)18/h2-10H,11H2,1H3,(H,21,23)(H,24,25)/p-1/b22-12-.
What are the key properties of 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate has a molecular weight of 368.80 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-N-[(7-chloroquinolin-4-yl)amino]-C-methylcarbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9076810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).