N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide

C21H21N3O2 — CID 60601662

IUPACN-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C21H21N3O2/c1-3-13-23-21(25)15(2)24-17-9-11-18(12-10-17)26-19-8-4-6-16-7-5-14-22-20(16)19/h3-12,14-15,24H,1,13H2,2H3,(H,23,25)
InChIKeyHBTIHOYYZLBDMO-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.13
Rot. Bonds7

About N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide

N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide (PubChem CID 60601662) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
PubChem CID60601662
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C21H21N3O2/c1-3-13-23-21(25)15(2)24-17-9-11-18(12-10-17)26-19-8-4-6-16-7-5-14-22-20(16)19/h3-12,14-15,24H,1,13H2,2H3,(H,23,25)
InChIKeyHBTIHOYYZLBDMO-UHFFFAOYSA-N
XLogP4.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601558
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] quinoline-8-carboxylate
CID 9061879
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
CID 95305079
4-quinolin-8-yloxybenzoic acid
CID 28825287
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide?
The IUPAC name of N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide (CID 60601662) is N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide.
What is the SMILES notation for N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide?
The canonical SMILES for N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide is C=CCNC(=O)C(C)Nc1ccc(Oc2cccc3cccnc23)cc1.
What is the InChIKey of N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide?
The InChIKey is HBTIHOYYZLBDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-13-23-21(25)15(2)24-17-9-11-18(12-10-17)26-19-8-4-6-16-7-5-14-22-20(16)19/h3-12,14-15,24H,1,13H2,2H3,(H,23,25).
What are the key properties of N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide?
N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide has a molecular weight of 347.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide is sourced from PubChem (CID 60601662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).