N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide

C24H25Cl2N5O2 — CID 44569723

IUPACN-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1
InChIInChI=1S/C24H25Cl2N5O2/c1-15-11-22(30-23(32)14-31-9-3-2-4-10-31)18-12-16(6-8-21(18)27-15)28-24(33)29-17-5-7-19(25)20(26)13-17/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,27,30,32)(H2,28,29,33)
InChIKeyXYVHTWJIOGRCQL-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.92
Rot. Bonds5

About N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide

N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide (PubChem CID 44569723) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
PubChem CID44569723
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC NameN-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1
InChIInChI=1S/C24H25Cl2N5O2/c1-15-11-22(30-23(32)14-31-9-3-2-4-10-31)18-12-16(6-8-21(18)27-15)28-24(33)29-17-5-7-19(25)20(26)13-17/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,27,30,32)(H2,28,29,33)
InChIKeyXYVHTWJIOGRCQL-UHFFFAOYSA-N
XLogP5.92
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide (CID 44569723) is N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide is Cc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1.
What is the InChIKey of N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
The InChIKey is XYVHTWJIOGRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-15-11-22(30-23(32)14-31-9-3-2-4-10-31)18-12-16(6-8-21(18)27-15)28-24(33)29-17-5-7-19(25)20(26)13-17/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,27,30,32)(H2,28,29,33).
What are the key properties of N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide has a molecular weight of 486.40 g/mol, XLogP of 5.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 44569723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).