N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

C22H16N4O2 — CID 133310527

IUPACN-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESN#Cc1cc(NCc2cccc(NC(=O)c3ccco3)c2)c2ccccc2n1
InChIInChI=1S/C22H16N4O2/c23-13-17-12-20(18-7-1-2-8-19(18)25-17)24-14-15-5-3-6-16(11-15)26-22(27)21-9-4-10-28-21/h1-12H,14H2,(H,24,25)(H,26,27)
InChIKeyMROOQUFKTAKMGL-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.56
Rot. Bonds5

About N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133310527) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID133310527
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC NameN-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESN#Cc1cc(NCc2cccc(NC(=O)c3ccco3)c2)c2ccccc2n1
InChIInChI=1S/C22H16N4O2/c23-13-17-12-20(18-7-1-2-8-19(18)25-17)24-14-15-5-3-6-16(11-15)26-22(27)21-9-4-10-28-21/h1-12H,14H2,(H,24,25)(H,26,27)
InChIKeyMROOQUFKTAKMGL-UHFFFAOYSA-N
XLogP4.56
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 133351732
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
CID 133318713
4-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]quinoline-2-carbonitrile
CID 133351134
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
CID 133316749
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 35669369
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[3-[[[6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 46401299

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (CID 133310527) is N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is N#Cc1cc(NCc2cccc(NC(=O)c3ccco3)c2)c2ccccc2n1.
What is the InChIKey of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is MROOQUFKTAKMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c23-13-17-12-20(18-7-1-2-8-19(18)25-17)24-14-15-5-3-6-16(11-15)26-22(27)21-9-4-10-28-21/h1-12H,14H2,(H,24,25)(H,26,27).
What are the key properties of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133310527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).