N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

C22H28N4O3 — CID 3236194

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-25-9-11-26(12-10-25)8-4-7-23-21(27)20-14-17-13-16-5-6-18(28-2)15-19(16)24-22(17)29-20/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,27)
InChIKeyNBLIKKSFJBCIBN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.75
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 3236194) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
PubChem CID3236194
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-25-9-11-26(12-10-25)8-4-7-23-21(27)20-14-17-13-16-5-6-18(28-2)15-19(16)24-22(17)29-20/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,27)
InChIKeyNBLIKKSFJBCIBN-UHFFFAOYSA-N
XLogP2.75
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide (CID 3236194) is N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide is CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is NBLIKKSFJBCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-25-9-11-26(12-10-25)8-4-7-23-21(27)20-14-17-13-16-5-6-18(28-2)15-19(16)24-22(17)29-20/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3236194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).