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

C22H20N4O — CID 133310371

IUPACN-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
SMILESN#Cc1cc(NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c23-13-18-12-21(19-9-1-2-10-20(19)25-18)24-14-15-5-3-8-17(11-15)26-22(27)16-6-4-7-16/h1-3,5,8-12,16H,4,6-7,14H2,(H,24,25)(H,26,27)
InChIKeyUVMKXHJVFWYTRP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.46
Rot. Bonds5

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

N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 133310371) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID133310371
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
SMILESN#Cc1cc(NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c23-13-18-12-21(19-9-1-2-10-20(19)25-18)24-14-15-5-3-8-17(11-15)26-22(27)16-6-4-7-16/h1-3,5,8-12,16H,4,6-7,14H2,(H,24,25)(H,26,27)
InChIKeyUVMKXHJVFWYTRP-UHFFFAOYSA-N
XLogP4.46
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133310527
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133404937
N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 24685608
N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310369
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]quinoline-2-carbonitrile
CID 133318713
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
N-[3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335548
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide (CID 133310371) is N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide is N#Cc1cc(NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc2n1.
What is the InChIKey of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is UVMKXHJVFWYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c23-13-18-12-21(19-9-1-2-10-20(19)25-18)24-14-15-5-3-8-17(11-15)26-22(27)16-6-4-7-16/h1-3,5,8-12,16H,4,6-7,14H2,(H,24,25)(H,26,27).
What are the key properties of N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 133310371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).