methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate

C19H18N2O3 — CID 66487273

IUPACmethyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
SMILESCCOc1ccc2c(Nc3ccc(C(=O)OC)cc3)ccnc2c1
InChIInChI=1S/C19H18N2O3/c1-3-24-15-8-9-16-17(10-11-20-18(16)12-15)21-14-6-4-13(5-7-14)19(22)23-2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyPGVNBVLLPAOJDU-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.16
Rot. Bonds5

About methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate

methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate (PubChem CID 66487273) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
PubChem CID66487273
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
SMILESCCOc1ccc2c(Nc3ccc(C(=O)OC)cc3)ccnc2c1
InChIInChI=1S/C19H18N2O3/c1-3-24-15-8-9-16-17(10-11-20-18(16)12-15)21-14-6-4-13(5-7-14)19(22)23-2/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyPGVNBVLLPAOJDU-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
methyl 4-[(6-isocyanoquinolin-4-yl)amino]benzoate
CID 176585499
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
methyl 3-[(7-chloroquinolin-4-yl)amino]-4-methylbenzoate
CID 172907299
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
2,3-dihydroxypropyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 13019126
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate?
The IUPAC name of methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate (CID 66487273) is methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate is CCOc1ccc2c(Nc3ccc(C(=O)OC)cc3)ccnc2c1.
What is the InChIKey of methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate?
The InChIKey is PGVNBVLLPAOJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-15-8-9-16-17(10-11-20-18(16)12-15)21-14-6-4-13(5-7-14)19(22)23-2/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate?
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate has a molecular weight of 322.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 66487273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).