methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate

C11H13ClN2O2 — CID 83843214

IUPACmethyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCC(N)c2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O2/c1-16-11(15)14-5-4-9(13)8-3-2-7(12)6-10(8)14/h2-3,6,9H,4-5,13H2,1H3
InChIKeyGHFWJGQEZQLAAA-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.32
Rot. Bonds

About methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 83843214) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID83843214
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Namemethyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCC(N)c2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O2/c1-16-11(15)14-5-4-9(13)8-3-2-7(12)6-10(8)14/h2-3,6,9H,4-5,13H2,1H3
InChIKeyGHFWJGQEZQLAAA-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

methyl 4-amino-7-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83838643
propan-2-yl 5-amino-8-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 68680258
1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
CID 83754353
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903361
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
(2,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637145
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 57366387
2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278889
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103555258

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate (CID 83843214) is methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate is COC(=O)N1CCC(N)c2ccc(Cl)cc21.
What is the InChIKey of methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is GHFWJGQEZQLAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-11(15)14-5-4-9(13)8-3-2-7(12)6-10(8)14/h2-3,6,9H,4-5,13H2,1H3.
What are the key properties of methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-7-chloro-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 83843214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).