ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate

C20H19ClN2O3 — CID 92888655

IUPACethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N[C@H](C)c2ccccc2)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C20H19ClN2O3/c1-3-26-20(25)17-18(22-12(2)13-7-5-4-6-8-13)15-10-9-14(21)11-16(15)23-19(17)24/h4-12H,3H2,1-2H3,(H2,22,23,24)/t12-/m1/s1
InChIKeyFCJRHUZVQYSOPO-GFCCVEGCSA-N
MW370.84 g/mol
LogP4.53
Rot. Bonds5

About ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate

ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate (PubChem CID 92888655) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate
PubChem CID92888655
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Nameethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N[C@H](C)c2ccccc2)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C20H19ClN2O3/c1-3-26-20(25)17-18(22-12(2)13-7-5-4-6-8-13)15-10-9-14(21)11-16(15)23-19(17)24/h4-12H,3H2,1-2H3,(H2,22,23,24)/t12-/m1/s1
InChIKeyFCJRHUZVQYSOPO-GFCCVEGCSA-N
XLogP4.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid
CID 53349929
ethyl 3-[(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)amino]-3-oxopropanoate
CID 10500272
ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 50776714
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 7-chloro-3-methyl-1-oxo-2-phenyl-5H-pyrido[4,3-b]indole-4-carboxylate
CID 46702478
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 6-chloro-3-propanoyl-1H-indole-2-carboxylate
CID 122192007
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)acetamide
CID 10686612
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate (CID 92888655) is ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate is CCOC(=O)c1c(N[C@H](C)c2ccccc2)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate?
The InChIKey is FCJRHUZVQYSOPO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-26-20(25)17-18(22-12(2)13-7-5-4-6-8-13)15-10-9-14(21)11-16(15)23-19(17)24/h4-12H,3H2,1-2H3,(H2,22,23,24)/t12-/m1/s1.
What are the key properties of ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate?
ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate is sourced from PubChem (CID 92888655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).