N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide

C18H16ClN3O3 — CID 25335910

IUPACN-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C18H16ClN3O3/c19-13-7-8-14(12-4-1-9-20-17(12)13)22-16(23)6-2-10-21-18(24)15-5-3-11-25-15/h1,3-5,7-9,11H,2,6,10H2,(H,21,24)(H,22,23)
InChIKeyCHIJXXPZXUIJML-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.63
Rot. Bonds6

About N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 25335910) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID25335910
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C18H16ClN3O3/c19-13-7-8-14(12-4-1-9-20-17(12)13)22-16(23)6-2-10-21-18(24)15-5-3-11-25-15/h1,3-5,7-9,11H,2,6,10H2,(H,21,24)(H,22,23)
InChIKeyCHIJXXPZXUIJML-UHFFFAOYSA-N
XLogP3.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
methyl 4-chloro-3-[4-(furan-2-carbonylamino)butanoylamino]benzoate
CID 31891304
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
N-(7-chloro-8-methylquinolin-4-yl)furan-2-carboxamide
CID 43860186
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
N-[3-oxo-3-(1H-pyrazol-5-ylamino)propyl]furan-2-carboxamide
CID 61393596
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
CID 104826392
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27690460

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide (CID 25335910) is N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is CHIJXXPZXUIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-13-7-8-14(12-4-1-9-20-17(12)13)22-16(23)6-2-10-21-18(24)15-5-3-11-25-15/h1,3-5,7-9,11H,2,6,10H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 25335910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).