N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

C21H24ClN3O2 — CID 20853912

IUPACN-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
SMILESO=C(NCCCN1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C21H24ClN3O2/c22-17-7-6-15-12-16-13-19(27-21(16)24-18(15)14-17)20(26)23-8-5-11-25-9-3-1-2-4-10-25/h6-7,12-14H,1-5,8-11H2,(H,23,26)
InChIKeyVTFLKSIIJQHIDF-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.63
Rot. Bonds5

About N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide (PubChem CID 20853912) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
PubChem CID20853912
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
SMILESO=C(NCCCN1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C21H24ClN3O2/c22-17-7-6-15-12-16-13-19(27-21(16)24-18(15)14-17)20(26)23-8-5-11-25-9-3-1-2-4-10-25/h6-7,12-14H,1-5,8-11H2,(H,23,26)
InChIKeyVTFLKSIIJQHIDF-UHFFFAOYSA-N
XLogP4.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
6-methoxy-N-(3-morpholin-4-ylpropyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582811
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
4-chloro-2-nitro-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020133
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)quinoline-4-carboxamide
CID 4255716
7-methyl-N-(2-phenylethyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582807
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
1-[(4-chlorophenyl)methyl]-2,3-dimethyl-N-(3-piperidin-1-ylpropyl)indole-5-carboxamide
CID 20940278
2-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 60668245

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide (CID 20853912) is N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide is O=C(NCCCN1CCCCCC1)c1cc2cc3ccc(Cl)cc3nc2o1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is VTFLKSIIJQHIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-7-6-15-12-16-13-19(27-21(16)24-18(15)14-17)20(26)23-8-5-11-25-9-3-1-2-4-10-25/h6-7,12-14H,1-5,8-11H2,(H,23,26).
What are the key properties of N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20853912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).