N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide

C21H16ClN3O — CID 171501804

IUPACN-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
SMILESCC(=O)N(Cc1ccc2ccc(Cl)nc2c1)c1cccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c1-14(26)25(19-6-2-4-17-5-3-11-23-21(17)19)13-15-7-8-16-9-10-20(22)24-18(16)12-15/h2-12H,13H2,1H3
InChIKeyLORWFUQFYYZDNI-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.99
Rot. Bonds3

About N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide

N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide (PubChem CID 171501804) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
PubChem CID171501804
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC NameN-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
SMILESCC(=O)N(Cc1ccc2ccc(Cl)nc2c1)c1cccc2cccnc12
InChIInChI=1S/C21H16ClN3O/c1-14(26)25(19-6-2-4-17-5-3-11-23-21(17)19)13-15-7-8-16-9-10-20(22)24-18(16)12-15/h2-12H,13H2,1H3
InChIKeyLORWFUQFYYZDNI-UHFFFAOYSA-N
XLogP4.99
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[acetyl-[(2-chloroquinolin-7-yl)methyl]amino]pyridine-2-carboxylate
CID 171502149
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502111
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113133211
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-quinolin-8-ylacetamide
CID 113178652
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide?
The IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide (CID 171501804) is N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide is CC(=O)N(Cc1ccc2ccc(Cl)nc2c1)c1cccc2cccnc12.
What is the InChIKey of N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide?
The InChIKey is LORWFUQFYYZDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c1-14(26)25(19-6-2-4-17-5-3-11-23-21(17)19)13-15-7-8-16-9-10-20(22)24-18(16)12-15/h2-12H,13H2,1H3.
What are the key properties of N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide?
N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide has a molecular weight of 361.83 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 171501804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).