N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide

C19H17ClN2O2 — CID 111969900

IUPACN-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccc(Cl)cc2n1)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H17ClN2O2/c20-16-8-6-15-7-9-17(21-18(15)12-16)19(24)22(10-11-23)13-14-4-2-1-3-5-14/h1-9,12,23H,10-11,13H2
InChIKeyVAHXLTLSDOROJG-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.52
Rot. Bonds5

About N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide

N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide (PubChem CID 111969900) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
PubChem CID111969900
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccc(Cl)cc2n1)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H17ClN2O2/c20-16-8-6-15-7-9-17(21-18(15)12-16)19(24)22(10-11-23)13-14-4-2-1-3-5-14/h1-9,12,23H,10-11,13H2
InChIKeyVAHXLTLSDOROJG-UHFFFAOYSA-N
XLogP3.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200
N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
CID 78865370
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 59483477
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 47002987
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide?
The IUPAC name of N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide (CID 111969900) is N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide?
The canonical SMILES for N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide is O=C(c1ccc2ccc(Cl)cc2n1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide?
The InChIKey is VAHXLTLSDOROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-16-8-6-15-7-9-17(21-18(15)12-16)19(24)22(10-11-23)13-14-4-2-1-3-5-14/h1-9,12,23H,10-11,13H2.
What are the key properties of N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide?
N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide is sourced from PubChem (CID 111969900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).