N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide

C20H20ClN3O2 — CID 86763176

IUPACN-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide
SMILESCC(N)CNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-13(22)10-23-20(26)17-12-24(11-14-5-3-2-4-6-14)18-9-15(21)7-8-16(18)19(17)25/h2-9,12-13H,10-11,22H2,1H3,(H,23,26)
InChIKeyNWHSYIDEYHTHGA-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.78
Rot. Bonds5

About N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide

N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide (PubChem CID 86763176) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide
PubChem CID86763176
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide
SMILESCC(N)CNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H20ClN3O2/c1-13(22)10-23-20(26)17-12-24(11-14-5-3-2-4-6-14)18-9-15(21)7-8-16(18)19(17)25/h2-9,12-13H,10-11,22H2,1H3,(H,23,26)
InChIKeyNWHSYIDEYHTHGA-UHFFFAOYSA-N
XLogP2.78
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide (CID 86763176) is N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide is CC(N)CNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide?
The InChIKey is NWHSYIDEYHTHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13(22)10-23-20(26)17-12-24(11-14-5-3-2-4-6-14)18-9-15(21)7-8-16(18)19(17)25/h2-9,12-13H,10-11,22H2,1H3,(H,23,26).
What are the key properties of N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide?
N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 86763176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).