N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide

C18H16N4O2 — CID 3513318

IUPACN-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1cccc2cc(C#N)c(NCCNC(=O)c3ccco3)nc12
InChIInChI=1S/C18H16N4O2/c1-12-4-2-5-13-10-14(11-19)17(22-16(12)13)20-7-8-21-18(23)15-6-3-9-24-15/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUQJNHISCAINRQH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.85
Rot. Bonds5

About N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide

N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 3513318) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
PubChem CID3513318
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
SMILESCc1cccc2cc(C#N)c(NCCNC(=O)c3ccco3)nc12
InChIInChI=1S/C18H16N4O2/c1-12-4-2-5-13-10-14(11-19)17(22-16(12)13)20-7-8-21-18(23)15-6-3-9-24-15/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23)
InChIKeyUQJNHISCAINRQH-UHFFFAOYSA-N
XLogP2.85
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]ethyl]furan-2-carboxamide
CID 43815507
N-[3-[(3-cyano-8-methylquinolin-2-yl)amino]propyl]-2,6-difluorobenzamide
CID 3297060
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-(3-fluorophenyl)urea
CID 43813654
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51685217
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-1-(4-fluorophenyl)urea
CID 45076687
N-[2-(5-cyano-2-methyl-3-nitroanilino)ethyl]furan-2-carboxamide
CID 56786406
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472
3-[(3-cyano-8-methoxyquinolin-2-yl)amino]propanoic acid
CID 82233585
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 944098
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide (CID 3513318) is N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide is Cc1cccc2cc(C#N)c(NCCNC(=O)c3ccco3)nc12.
What is the InChIKey of N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is UQJNHISCAINRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-4-2-5-13-10-14(11-19)17(22-16(12)13)20-7-8-21-18(23)15-6-3-9-24-15/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 3513318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).