N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide

C33H35FN4O3 — CID 5207828

IUPACN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1ccc(CN2CCCCC2)o1)c1cnc2ccccc2c1
InChIInChI=1S/C33H35FN4O3/c34-25-14-12-23(13-15-25)31(32(39)36-26-9-3-4-10-26)38(27-20-24-8-2-5-11-29(24)35-21-27)33(40)30-17-16-28(41-30)22-37-18-6-1-7-19-37/h2,5,8,11-17,20-21,26,31H,1,3-4,6-7,9-10,18-19,22H2,(H,36,39)
InChIKeyMIQRNXHCFHMDBR-UHFFFAOYSA-N
MW554.67 g/mol
LogP6.40
Rot. Bonds8

About N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide (PubChem CID 5207828) has the molecular formula C33H35FN4O3 and a molecular weight of 554.67 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide
PubChem CID5207828
Molecular FormulaC33H35FN4O3
Molecular Weight554.67 g/mol
Exact Mass554.27
IUPAC NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1ccc(CN2CCCCC2)o1)c1cnc2ccccc2c1
InChIInChI=1S/C33H35FN4O3/c34-25-14-12-23(13-15-25)31(32(39)36-26-9-3-4-10-26)38(27-20-24-8-2-5-11-29(24)35-21-27)33(40)30-17-16-28(41-30)22-37-18-6-1-7-19-37/h2,5,8,11-17,20-21,26,31H,1,3-4,6-7,9-10,18-19,22H2,(H,36,39)
InChIKeyMIQRNXHCFHMDBR-UHFFFAOYSA-N
XLogP6.40
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.67
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide (CID 5207828) is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide is O=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1ccc(CN2CCCCC2)o1)c1cnc2ccccc2c1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide?
The InChIKey is MIQRNXHCFHMDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O3/c34-25-14-12-23(13-15-25)31(32(39)36-26-9-3-4-10-26)38(27-20-24-8-2-5-11-29(24)35-21-27)33(40)30-17-16-28(41-30)22-37-18-6-1-7-19-37/h2,5,8,11-17,20-21,26,31H,1,3-4,6-7,9-10,18-19,22H2,(H,36,39).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide?
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide has a molecular weight of 554.67 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-(piperidin-1-ylmethyl)-N-quinolin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 5207828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).