N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

C25H25FN4O3 — CID 3238694

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)oc3nc2c1
InChIInChI=1S/C25H25FN4O3/c1-32-19-7-6-17-14-18-15-23(33-25(18)28-21(17)16-19)24(31)27-8-9-29-10-12-30(13-11-29)22-5-3-2-4-20(22)26/h2-7,14-16H,8-13H2,1H3,(H,27,31)
InChIKeyNYQRTSOVCKBBGZ-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.68
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 3238694) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
PubChem CID3238694
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)oc3nc2c1
InChIInChI=1S/C25H25FN4O3/c1-32-19-7-6-17-14-18-15-23(33-25(18)28-21(17)16-19)24(31)27-8-9-29-10-12-30(13-11-29)22-5-3-2-4-20(22)26/h2-7,14-16H,8-13H2,1H3,(H,27,31)
InChIKeyNYQRTSOVCKBBGZ-UHFFFAOYSA-N
XLogP3.68
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide (CID 3238694) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)oc3nc2c1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is NYQRTSOVCKBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-32-19-7-6-17-14-18-15-23(33-25(18)28-21(17)16-19)24(31)27-8-9-29-10-12-30(13-11-29)22-5-3-2-4-20(22)26/h2-7,14-16H,8-13H2,1H3,(H,27,31).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-7-methoxyfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3238694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).