N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide

C23H25N3O2 — CID 133404937

IUPACN-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCCc1cc(NCc2cccc(NC(=O)C3CCCO3)c2)c2ccccc2n1
InChIInChI=1S/C23H25N3O2/c1-2-17-14-21(19-9-3-4-10-20(19)25-17)24-15-16-7-5-8-18(13-16)26-23(27)22-11-6-12-28-22/h3-5,7-10,13-14,22H,2,6,11-12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyKMCBRZFTUPUSNW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds6

About N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 133404937) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID133404937
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESCCc1cc(NCc2cccc(NC(=O)C3CCCO3)c2)c2ccccc2n1
InChIInChI=1S/C23H25N3O2/c1-2-17-14-21(19-9-3-4-10-20(19)25-17)24-15-16-7-5-8-18(13-16)26-23(27)22-11-6-12-28-22/h3-5,7-10,13-14,22H,2,6,11-12,15H2,1H3,(H,24,25)(H,26,27)
InChIKeyKMCBRZFTUPUSNW-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 133274151
N-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111636384
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
(2R)-N-[3-[(4-cyano-2-fluoroanilino)methyl]phenyl]oxolane-2-carboxamide
CID 52855519
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
CID 97315172
N-[3-[[[(benzylamino)-(ethylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 110952624
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide (CID 133404937) is N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide is CCc1cc(NCc2cccc(NC(=O)C3CCCO3)c2)c2ccccc2n1.
What is the InChIKey of N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KMCBRZFTUPUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-17-14-21(19-9-3-4-10-20(19)25-17)24-15-16-7-5-8-18(13-16)26-23(27)22-11-6-12-28-22/h3-5,7-10,13-14,22H,2,6,11-12,15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 133404937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).