N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide

C19H19N3O5 — CID 2921603

IUPACN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C19H19N3O5/c1-2-3-8-16(23)21-17(15-7-5-10-27-15)13-11-14(22(25)26)12-6-4-9-20-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,21,23)
InChIKeyWOPMNHIPUZXLPC-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.84
Rot. Bonds7

About N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide

N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide (PubChem CID 2921603) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide
PubChem CID2921603
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C19H19N3O5/c1-2-3-8-16(23)21-17(15-7-5-10-27-15)13-11-14(22(25)26)12-6-4-9-20-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,21,23)
InChIKeyWOPMNHIPUZXLPC-UHFFFAOYSA-N
XLogP3.84
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide?
The IUPAC name of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide (CID 2921603) is N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide.
What is the SMILES notation for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide?
The canonical SMILES for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide?
The InChIKey is WOPMNHIPUZXLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-2-3-8-16(23)21-17(15-7-5-10-27-15)13-11-14(22(25)26)12-6-4-9-20-18(12)19(13)24/h4-7,9-11,17,24H,2-3,8H2,1H3,(H,21,23).
What are the key properties of N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide?
N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide has a molecular weight of 369.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide is sourced from PubChem (CID 2921603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).