2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride

C13H11Cl2NO — CID 87334108

IUPAC2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C13H10ClNO.ClH/c14-13(16)10-7-12(8-5-6-8)15-11-4-2-1-3-9(10)11;/h1-4,7-8H,5-6H2;1H
InChIKeyMILNYCHLDROVGI-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.91
Rot. Bonds2

About 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride

2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride (PubChem CID 87334108) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
PubChem CID87334108
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C13H10ClNO.ClH/c14-13(16)10-7-12(8-5-6-8)15-11-4-2-1-3-9(10)11;/h1-4,7-8H,5-6H2;1H
InChIKeyMILNYCHLDROVGI-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
4-chloro-2-cyclopropylquinoline
CID 63357870
2-cyclopropyl-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide;dihydrochloride
CID 120598132
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride?
The IUPAC name of 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride (CID 87334108) is 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride.
What is the SMILES notation for 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride?
The canonical SMILES for 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride is Cl.O=C(Cl)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride?
The InChIKey is MILNYCHLDROVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO.ClH/c14-13(16)10-7-12(8-5-6-8)15-11-4-2-1-3-9(10)11;/h1-4,7-8H,5-6H2;1H.
What are the key properties of 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride?
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride has a molecular weight of 268.14 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride is sourced from PubChem (CID 87334108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).