methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate

C13H10ClN3O2 — CID 11437318

IUPACmethyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c(Cl)nc3ccccc32)c1N
InChIInChI=1S/C13H10ClN3O2/c1-19-13(18)11-9(15)8-10(17-11)6-4-2-3-5-7(6)16-12(8)14/h2-5,17H,15H2,1H3
InChIKeyUYKUKQKFWJPAHC-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.74
Rot. Bonds1

About methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate

methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate (PubChem CID 11437318) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate
PubChem CID11437318
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Namemethyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c(Cl)nc3ccccc32)c1N
InChIInChI=1S/C13H10ClN3O2/c1-19-13(18)11-9(15)8-10(17-11)6-4-2-3-5-7(6)16-12(8)14/h2-5,17H,15H2,1H3
InChIKeyUYKUKQKFWJPAHC-UHFFFAOYSA-N
XLogP2.74
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 4777731
methyl acridine-9-carboxylate
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CID 166475893
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate
CID 11716181
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
methyl 4-amino-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carboxylate
CID 164677041
4-chloro-3H-imidazo[4,5-c]quinolin-2-amine
CID 87165995
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
methyl 3-amino-4-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 82087785
2-amino-N-[4-chloro-2-[(8-chloro-11H-indolo[3,2-c]quinolin-6-yl)oxy]phenyl]benzamide
CID 164522389

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate (CID 11437318) is methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate is COC(=O)c1[nH]c2c(c(Cl)nc3ccccc32)c1N.
What is the InChIKey of methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate?
The InChIKey is UYKUKQKFWJPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-19-13(18)11-9(15)8-10(17-11)6-4-2-3-5-7(6)16-12(8)14/h2-5,17H,15H2,1H3.
What are the key properties of methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate?
methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate has a molecular weight of 275.70 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 11437318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).