N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide

C19H17ClN4O4 — CID 24830844

IUPACN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H17ClN4O4/c20-12-1-2-14-15(11-12)21-8-5-16(14)23-9-6-13(7-10-23)22-19(25)17-3-4-18(28-17)24(26)27/h1-5,8,11,13H,6-7,9-10H2,(H,22,25)
InChIKeyKXZHELPAZWTQDK-UHFFFAOYSA-N
MW400.82 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide (PubChem CID 24830844) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
PubChem CID24830844
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C19H17ClN4O4/c20-12-1-2-14-15(11-12)21-8-5-16(14)23-9-6-13(7-10-23)22-19(25)17-3-4-18(28-17)24(26)27/h1-5,8,11,13H,6-7,9-10H2,(H,22,25)
InChIKeyKXZHELPAZWTQDK-UHFFFAOYSA-N
XLogP3.79
TPSA101.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 24830996
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 24830997
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 26452830
4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
1-(3-bromophenyl)-3-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-1-sulfanylurea
CID 87695026
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 78772512

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide (CID 24830844) is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide is O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is KXZHELPAZWTQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c20-12-1-2-14-15(11-12)21-8-5-16(14)23-9-6-13(7-10-23)22-19(25)17-3-4-18(28-17)24(26)27/h1-5,8,11,13H,6-7,9-10H2,(H,22,25).
What are the key properties of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide?
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 24830844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).