N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide

C24H27FN2O3 — CID 23530740

IUPACN-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H27FN2O3/c1-3-4-5-12-30-22-15-18-14-20(24(29)27-21(18)13-16(22)2)23(28)26-11-10-17-6-8-19(25)9-7-17/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyVKMQKCRKJGTODT-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.52
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide (PubChem CID 23530740) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide
PubChem CID23530740
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide
SMILESCCCCCOc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H27FN2O3/c1-3-4-5-12-30-22-15-18-14-20(24(29)27-21(18)13-16(22)2)23(28)26-11-10-17-6-8-19(25)9-7-17/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyVKMQKCRKJGTODT-UHFFFAOYSA-N
XLogP4.52
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cilostamide
CID 2753
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
hDHODH-IN-11
CID 146269042
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
N-(2-Hydroxy-6-methoxy-quinolin-3-ylmethyl)-N-p-tolyl-propionamide
CID 1091906
N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 663963
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
3-[(3,4-Dimethyl-phenylamino)-methyl]-6-methoxy-quinolin-2-ol
CID 939029

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide (CID 23530740) is N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide is CCCCCOc1cc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide?
The InChIKey is VKMQKCRKJGTODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-3-4-5-12-30-22-15-18-14-20(24(29)27-21(18)13-16(22)2)23(28)26-11-10-17-6-8-19(25)9-7-17/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-7-methyl-2-oxo-6-pentoxy-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23530740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).